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

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-(quinolin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-6-methyl-5-(2-quinolylmethyl)imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-6-methyl-5-(2-quinolinylmethyl)imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-(quinolin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-6-methyl-5-(2-quinolylmethyl)imidazo[4,5-d]pyridazine-4,7-quinone Formula: C25H27N7O2 MolecularWeight: 457.52758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC4=CC=CC=C4C=C3)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC4=CC=CC=C4C=C3)C)N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C25H27N7O2/c1-3-4-14-31-22-21(28-25(31)30-13-7-9-18(26)15-30)23(33)29(2)32(24(22)34)16-19-12-11-17-8-5-6-10-20(17)27-19/h5-6,8,10-12,18H,7,9,13-16,26H2,1-2H3/t18-/m1/s1