N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C23H19N5O2S/c1-3-11-28-22(30)18-8-7-16(13-20(18)27-23(28)31)21(29)26-17-6-4-5-15(12-17)19-9-10-24-14(2)25-19/h3-10,12-13H,1,11H2,2H3,(H,26,29)(H,27,31)