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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(2-thienylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-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(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CS3)CC4=CC=CC=C4

InChI

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