1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-piperidyl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperidinyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperidino)-7-(3-phenylpropyl)xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O2/c1-16-11-14-26(15-12-16)21-23-19-18(20(28)25(3)22(29)24(19)2)27(21)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-15H2,1-3H3