7-[3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2,4-dimethylbenzoyl)piperidino]-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C24H29N5O4/c1-15-5-6-18(16(2)13-15)21(31)17-7-10-28(11-8-17)19(30)9-12-29-14-25-22-20(29)23(32)27(4)24(33)26(22)3/h5-6,13-14,17H,7-12H2,1-4H3