1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[[(3S)-3-methyl-1-piperidyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(3S)-3-methyl-1-piperidinyl]methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[[(3S)-3-methylpiperidino]methyl]xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O2/c1-15-8-7-11-25(12-15)14-17-22-19-18(20(27)24(3)21(28)23(19)2)26(17)13-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3/t15-/m0/s1