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

Systemtic Name: 3-methyl-8-[(2E)-2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-[(2E)-2-[(Z)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-[(N'E)-N'-[(Z)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O2/c1-4-12-25-15-16(24(3)19(27)21-17(15)26)20-18(25)23-22-13(2)10-11-14-8-6-5-7-9-14/h4-11H,1,12H2,2-3H3,(H,20,23)(H,21,26,27)/b11-10-,22-13+