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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H27N5O3/c1-14-8-11-25(12-9-14)20-22-18-17(19(27)23-21(28)24(18)2)26(20)13-10-15-4-6-16(29-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,23,27,28)