1,3-dimethyl-7-[[4-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-yl]carbonylphenyl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[4-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-yl]carbonylphenyl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[4-[6-[4-(1-piperidyl)-1-piperidyl]pyridine-3-carbonyl]phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[4-[oxo-[6-[4-(1-piperidinyl)-1-piperidinyl]-3-pyridinyl]methyl]phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[4-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carbonyl]phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-[6-(4-piperidinopiperidino)nicotinoyl]benzyl]xanthine Formula: C30H35N7O3 MolecularWeight: 541.644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)N5CCC(CC5)N6CCCCC6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C30H35N7O3/c1-33-28-26(29(39)34(2)30(33)40)37(20-32-28)19-21-6-8-22(9-7-21)27(38)23-10-11-25(31-18-23)36-16-12-24(13-17-36)35-14-4-3-5-15-35/h6-11,18,20,24H,3-5,12-17,19H2,1-2H3