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

Systemtic Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-(pyridin-3-ylmethyl)piperazine-1-carboximidamide Openeye Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-(3-pyridylmethyl)piperazine-1-carboxamidine CAS Name: N-cyano-4-(6,7-dimethoxy-4-quinazolinyl)-N'-(3-pyridinylmethyl)-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-(pyridin-3-ylmethyl)piperazine-1-carboximidamide Traditional Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-(3-pyridylmethyl)piperazine-1-carboxamidine Formula: C22H24N8O2 MolecularWeight: 432.47836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N8O2/c1-31-19-10-17-18(11-20(19)32-2)27-15-28-21(17)29-6-8-30(9-7-29)22(26-14-23)25-13-16-4-3-5-24-12-16/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,25,26)