1,3-dimethyl-8-[(2E)-2-(4-methylpentan-2-ylidene)hydrazinyl]-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(2E)-2-(4-methylpentan-2-ylidene)hydrazinyl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-(1,3-dimethylbutylidene)hydrazino]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2E)-2-(4-methylpentan-2-ylidene)hydrazinyl]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2E)-2-(4-methylpentan-2-ylidene)hydrazinyl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(1,3-dimethylbutylidene)hydrazino]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=NNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2/c1-15(2)14-16(3)24-25-21-23-19-18(20(29)27(5)22(30)26(19)4)28(21)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15H,9,12-14H2,1-5H3,(H,23,25)/b24-16+