5287547 -OEChem-10051719493D 16 17 0 0 0 0 0 0 0999 V2000 -1.1618 -1.4346 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 0.5847 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 0.4854 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 1.8636 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -0.5422 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 -0.6549 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 0.7044 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 -1.9516 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 -2.4432 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -2.5312 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 -1.7941 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 -2.5345 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 -1.1920 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9099 2.5524 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 10 2 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > DB02113 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SYMHUEFSSMBHJA-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C2NC=NC2=NC=N1 > InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10) > SYMHUEFSSMBHJA-UHFFFAOYSA-N > C6H6N4 > 134.1386 > 134.059246212 > 3 > 16 > -0.0010158108531135412 > 12.976529867469896 > 1 > 1 > 0 > 0 > 6-methyl-7H-purine > 0.11 > -0.20763163766666662 > -0.66 > 0 > 0 > 2 > 0 > 9.835944871849055 > 2.9294582313508886 > 54.46 > 37.79709999999999 > 0 > 1 > 2.93e+01 g/l > tetrahydrofolic acid > 0 $$$$