N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamidine CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboximidamide IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Traditional Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-piperonyl-piperazine-1-carboxamidine Formula: C24H25N7O4 MolecularWeight: 475.4998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCC4=CC5=C(C=C4)OCO5)NC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCC4=CC5=C(C=C4)OCO5)NC#N)OC

InChI

InChI=1S/C24H25N7O4/c1-32-20-10-17-18(11-21(20)33-2)28-14-29-23(17)30-5-7-31(8-6-30)24(27-13-25)26-12-16-3-4-19-22(9-16)35-15-34-19/h3-4,9-11,14H,5-8,12,15H2,1-2H3,(H,26,27)