N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-(phenylmethyl)piperazine-1-carboximidamide

Systemtic Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)-N'-(phenylmethyl)piperazine-1-carboximidamide Openeye Name: N'-benzyl-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamidine CAS Name: N-cyano-4-(6,7-dimethoxy-4-quinazolinyl)-N'-(phenylmethyl)-1-piperazinecarboximidamide IUPAC Name: N'-benzyl-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Traditional Name: N'-benzyl-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamidine Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O2/c1-31-20-12-18-19(13-21(20)32-2)27-16-28-22(18)29-8-10-30(11-9-29)23(26-15-24)25-14-17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,26)