1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(4-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(N'E)-N'-(4-pyridylmethylene)hydrazino]xanthine Formula: C20H19N7O2 MolecularWeight: 389.41056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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