1,3-dimethyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-[(2E)-2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[(N'E)-N'-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C)C=CC3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2/c1-5-13-26-16-17(24(3)20(28)25(4)18(16)27)21-19(26)23-22-14(2)11-12-15-9-7-6-8-10-15/h5-12H,1,13H2,2-4H3,(H,21,23)/b12-11+,22-14+