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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-[1-(4-pyridyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(N'E)-N'-[1-(4-pyridyl)ethylidene]hydrazino]xanthine Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)C4=CC=NC=C4

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)/C4=CC=NC=C4

InChI

InChI=1S/C21H21N7O2/c1-14(16-9-11-22-12-10-16)24-25-20-23-18-17(19(29)27(3)21(30)26(18)2)28(20)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,25)/b24-14+