2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-6-methyl-5-[(4-phenyl-2-pyrimidinyl)methyl]imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-6-methyl-5-[(4-phenylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazine-4,7-quinone Formula: C26H28N8O2 MolecularWeight: 484.55292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC=CC(=N3)C4=CC=CC=C4)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC=CC(=N3)C4=CC=CC=C4)C)N=C1N5CCCC(C5)N

InChI

InChI=1S/C26H28N8O2/c1-3-4-15-33-23-22(30-26(33)32-14-8-11-19(27)16-32)24(35)31(2)34(25(23)36)17-21-28-13-12-20(29-21)18-9-6-5-7-10-18/h5-7,9-10,12-13,19H,8,11,14-17,27H2,1-2H3