8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-methyl-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-methyl-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-3-methyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-methyl-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-3-methyl-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-phenylethyl)-8-[(N'E)-N'-piperonylidenehydrazino]xanthine Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2NN=CC4=CC5=C(C=C4)OCO5)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2N/N=C/C4=CC5=C(C=C4)OCO5)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H20N6O4/c1-13(15-6-4-3-5-7-15)28-18-19(27(2)22(30)25-20(18)29)24-21(28)26-23-11-14-8-9-16-17(10-14)32-12-31-16/h3-11,13H,12H2,1-2H3,(H,24,26)(H,25,29,30)/b23-11+