[4-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(dimethylaminomethyl)-4-quinazolinyl]amino]phenyl] ester IUPAC Name: [4-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]phenyl] ester Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H17N5S/c1-23(2)11-17-21-16-6-4-3-5-15(16)18(22-17)20-13-7-9-14(10-8-13)24-12-19/h3-10H,11H2,1-2H3,(H,20,21,22)