N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamidine CAS Name: N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-cyano-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboximidamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Traditional Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-homopiperonyl-piperazine-1-carboxamidine Formula: C25H27N7O4 MolecularWeight: 489.52638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCCC4=CC5=C(C=C4)OCO5)NC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCCC4=CC5=C(C=C4)OCO5)NC#N)OC

InChI

InChI=1S/C25H27N7O4/c1-33-21-12-18-19(13-22(21)34-2)29-15-30-24(18)31-7-9-32(10-8-31)25(28-14-26)27-6-5-17-3-4-20-23(11-17)36-16-35-20/h3-4,11-13,15H,5-10,16H2,1-2H3,(H,27,28)