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

Systemtic Name: 1,3-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]-7-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(3S)-3-methyl-1-piperidyl]-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(3S)-3-methyl-1-piperidinyl]-7-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(3S)-3-methylpiperidin-1-yl]-7-phenacylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(3S)-3-methylpiperidino]-7-phenacyl-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H25N5O3/c1-14-8-7-11-25(12-14)20-22-18-17(19(28)24(3)21(29)23(18)2)26(20)13-16(27)15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m0/s1