7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC(=CC=C4)OC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC(=CC=C4)OC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H27N5O4/c1-14-8-10-26(11-9-14)21-23-19-18(20(29)25(3)22(30)24(19)2)27(21)13-17(28)15-6-5-7-16(12-15)31-4/h5-7,12,14H,8-11,13H2,1-4H3