3-methyl-7-(2-methylpropyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-[(2E)-2-(4-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-[(N'E)-N'-(4-pyridylmethylene)hydrazino]xanthine Formula: C16H19N7O2 MolecularWeight: 341.36776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=CC3=CC=NC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N/N=C/C3=CC=NC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H19N7O2/c1-10(2)9-23-12-13(22(3)16(25)20-14(12)24)19-15(23)21-18-8-11-4-6-17-7-5-11/h4-8,10H,9H2,1-3H3,(H,19,21)(H,20,24,25)/b18-8+