3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-[(2E)-2-(2-thienylmethylene)hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-[(N'E)-N'-(2-thenylidene)hydrazino]xanthine Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CC=CS3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC=CS3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H18N6O2S/c1-23-15-16(21-18(23)22-20-11-14-9-6-10-28-14)24(2)19(27)25(17(15)26)12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,21,22)/b20-11+