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

Systemtic Name: 3,7-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-[(3S)-3-methyl-1-piperidyl]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(3S)-3-methyl-1-piperidinyl]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-[(3S)-3-methylpiperidino]xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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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=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-14-8-7-11-24(12-14)19-21-17-16(22(19)2)18(26)25(20(27)23(17)3)13-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m0/s1