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

Systemtic Name: 7-heptyl-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-[(2E)-2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-[(N'E)-N'-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]xanthine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=C(C)C=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C(\C)/C=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H30N6O2/c1-4-5-6-7-11-16-29-19-20(28(3)23(31)25-21(19)30)24-22(29)27-26-17(2)14-15-18-12-9-8-10-13-18/h8-10,12-15H,4-7,11,16H2,1-3H3,(H,24,27)(H,25,30,31)/b15-14+,26-17+