methyl N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidothioate Openeye Name: methyl N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidothioate CAS Name: N-cyano-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidothioate Traditional Name: N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidothioic acid methyl ester Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NC#N)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NC#N)SC)OC

InChI

InChI=1S/C17H20N6O2S/c1-24-14-8-12-13(9-15(14)25-2)20-11-21-16(12)22-4-6-23(7-5-22)17(26-3)19-10-18/h8-9,11H,4-7H2,1-3H3