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

Systemtic Name: 7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-13-8-10-25(11-9-13)20-22-18-17(19(28)23-21(29)24(18)2)26(20)12-16(27)14-4-6-15(30-3)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,23,28,29)