3-methyl-7-[3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[2-(1-methyl-3-phenyl-prop-2-enylidene)hydrazino]purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[N'-(1-methyl-3-phenyl-prop-2-enylidene)hydrazino]xanthine Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN=C(C)C=CC4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN=C(C)C=CC4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C26H28N6O4/c1-17-9-13-21(14-10-17)36-16-20(33)15-32-22-23(31(3)26(35)28-24(22)34)27-25(32)30-29-18(2)11-12-19-7-5-4-6-8-19/h4-14,20,33H,15-16H2,1-3H3,(H,27,30)(H,28,34,35)