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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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