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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(3S)-3-methyl-1-piperidyl]purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(3S)-3-methyl-1-piperidinyl]purine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,7-dimethyl-8-[(3S)-3-methylpiperidino]xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H24ClN5O2/c1-13-7-6-10-25(11-13)19-22-17-16(23(19)2)18(27)26(20(28)24(17)3)12-14-8-4-5-9-15(14)21/h4-5,8-9,13H,6-7,10-12H2,1-3H3/t13-/m0/s1