1-cyclopentyl-7-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-(2-methoxyphenyl)purine-2,6-dione

Systemtic Name: 1-cyclopentyl-7-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-(2-methoxyphenyl)purine-2,6-dione Openeye Name: 1-cyclopentyl-7-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-3-(2-methoxyphenyl)purine-2,6-dione CAS Name: 1-cyclopentyl-7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methoxyphenyl)purine-2,6-dione IUPAC Name: 1-cyclopentyl-7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(2-methoxyphenyl)purine-2,6-dione Traditional Name: 1-cyclopentyl-7-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-3-(2-methoxyphenyl)xanthine Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)C5CCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)C5CCCC5)C

InChI

InChI=1S/C27H28N4O4/c1-17-12-13-20(18(2)14-17)22(32)15-29-16-28-25-24(29)26(33)30(19-8-4-5-9-19)27(34)31(25)21-10-6-7-11-23(21)35-3/h6-7,10-14,16,19H,4-5,8-9,15H2,1-3H3