8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[2-oxidanylidene-2-(2-phenylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[2-oxidanylidene-2-(2-phenylphenyl)ethyl]purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-1-[2-oxo-2-(2-phenylphenyl)ethyl]purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-1-[2-oxo-2-(2-phenylphenyl)ethyl]purine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[2-oxo-2-(2-phenylphenyl)ethyl]purine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[2-keto-2-(2-phenylphenyl)ethyl]-3-methyl-xanthine Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4C5=CC=CC=C5)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4C5=CC=CC=C5)C

InChI

InChI=1S/C29H30N6O3/c1-3-4-17-34-25-26(31-28(34)33-16-10-13-21(30)18-33)32(2)29(38)35(27(25)37)19-24(36)23-15-9-8-14-22(23)20-11-6-5-7-12-20/h5-9,11-12,14-15,21H,10,13,16-19,30H2,1-2H3/t21-/m1/s1