[4-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]phenyl] thiocyanate

Systemtic Name: [4-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]phenyl] ester Formula: C17H13ClN4O2S MolecularWeight: 372.82872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=CC=C(C=C3)SC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=CC=C(C=C3)SC#N)OC

InChI

InChI=1S/C17H13ClN4O2S/c1-23-14-7-12-13(8-15(14)24-2)21-17(18)22-16(12)20-10-3-5-11(6-4-10)25-9-19/h3-8H,1-2H3,(H,20,21,22)