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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(N'E)-N'-(3-pyridylmethylene)hydrazino]xanthine Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O2/c1-25-17-16(18(28)26(2)20(25)29)27(13-14-7-4-3-5-8-14)19(23-17)24-22-12-15-9-6-10-21-11-15/h3-12H,13H2,1-2H3,(H,23,24)/b22-12+