8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-methylquinazolin-2-yl)methyl]-3-phenyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-methylquinazolin-2-yl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[(4-methylquinazolin-2-yl)methyl]-3-phenyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[(4-methyl-2-quinazolinyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[(4-methylquinazolin-2-yl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[(4-methylquinazolin-2-yl)methyl]-3-phenyl-xanthine Formula: C30H30N8O2 MolecularWeight: 534.6116

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C6=CC=CC=C6

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C6=CC=CC=C6

InChI

InChI=1S/C30H30N8O2/c1-3-4-17-36-26-27(34-29(36)35-16-10-11-21(31)18-35)38(22-12-6-5-7-13-22)30(40)37(28(26)39)19-25-32-20(2)23-14-8-9-15-24(23)33-25/h5-9,12-15,21H,10-11,16-19,31H2,1-2H3/t21-/m1/s1