3-methyl-4-oxidanylidene-2-(prop-2-ynylamino)-3-quinazolin-6-yl-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-2-(prop-2-ynylamino)-3-quinazolin-6-yl-cyclohexa-1,5-diene-1-carboxamide Openeye Name: 3-methyl-4-oxo-2-(prop-2-ynylamino)-3-quinazolin-6-yl-cyclohexa-1,5-diene-1-carboxamide CAS Name: 3-methyl-4-oxo-2-(prop-2-ynylamino)-3-(6-quinazolinyl)-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 3-methyl-4-oxo-2-(prop-2-ynylamino)-3-quinazolin-6-ylcyclohexa-1,5-diene-1-carboxamide Traditional Name: 4-keto-3-methyl-2-(propargylamino)-3-quinazolin-6-yl-cyclohexa-1,5-diene-1-carboxamide Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=CC(=C1NCC#C)C(=O)N)C2=CC3=CN=CN=C3C=C2

Isomeric SMILES

CC1(C(=O)C=CC(=C1NCC#C)C(=O)N)C2=CC3=CN=CN=C3C=C2

InChI

InChI=1S/C19H16N4O2/c1-3-8-22-17-14(18(20)25)5-7-16(24)19(17,2)13-4-6-15-12(9-13)10-21-11-23-15/h1,4-7,9-11,22H,8H2,2H3,(H2,20,25)