3-but-2-ynyl-2-piperazin-1-yl-5-(quinazolin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 3-but-2-ynyl-2-piperazin-1-yl-5-(quinazolin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-piperazin-1-yl-5-(quinazolin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1-piperazinyl)-5-(6-quinazolinylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-piperazin-1-yl-5-(quinazolin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-piperazino-5-(quinazolin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C22H22N8O MolecularWeight: 414.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CN=CN=C4C=C3)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CN=CN=C4C=C3)N=C1N5CCNCC5

InChI

InChI=1S/C22H22N8O/c1-2-3-8-29-20-19(27-22(29)28-9-6-23-7-10-28)13-26-30(21(20)31)14-16-4-5-18-17(11-16)12-24-15-25-18/h4-5,11-13,15,23H,6-10,14H2,1H3