8-[(2Z)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(2Z)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2Z)-2-(1-methylpropylidene)hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'Z)-N'-(1-methylpropylidene)hydrazino]-7-phenethyl-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)C

Isomeric SMILES

CC/C(=N\NC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)/C

InChI

InChI=1S/C18H22N6O2/c1-4-12(2)21-22-17-19-15-14(16(25)20-18(26)23(15)3)24(17)11-10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,19,22)(H,20,25,26)/b21-12-