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

Systemtic Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-(1-methylpropylidene)hydrazino]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-(1-methylpropylidene)hydrazino]-7-(3-phenylpropyl)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C)C

Isomeric SMILES

CC/C(=N/NC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C)/C

InChI

InChI=1S/C19H24N6O2/c1-4-13(2)22-23-18-20-16-15(17(26)21-19(27)24(16)3)25(18)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,20,23)(H,21,26,27)/b22-13+