3-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-2-[methyl(prop-2-ynyl)amino]benzenecarbonitrile

Systemtic Name: 3-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-2-[methyl(prop-2-ynyl)amino]benzenecarbonitrile Openeye Name: 3-(2-amino-4-oxo-1H-quinazolin-6-yl)-2-[methyl(prop-2-ynyl)amino]benzonitrile CAS Name: 3-(2-amino-4-oxo-1H-quinazolin-6-yl)-2-[methyl(prop-2-ynyl)amino]benzonitrile IUPAC Name: 3-(2-amino-4-oxo-1H-quinazolin-6-yl)-2-[methyl(prop-2-ynyl)amino]benzonitrile Traditional Name: 3-(2-amino-4-keto-1H-quinazolin-6-yl)-2-[methyl(propargyl)amino]benzonitrile Formula: C19H15N5O MolecularWeight: 329.3553

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)C1=C(C=CC=C1C2=CC3=C(C=C2)NC(=NC3=O)N)C#N

Isomeric SMILES

CN(CC#C)C1=C(C=CC=C1C2=CC3=C(C=C2)NC(=NC3=O)N)C#N

InChI

InChI=1S/C19H15N5O/c1-3-9-24(2)17-13(11-20)5-4-6-14(17)12-7-8-16-15(10-12)18(25)23-19(21)22-16/h1,4-8,10H,9H2,2H3,(H3,21,22,23,25)