N,4-dimethyl-6-methylsulfanyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N,4-dimethyl-6-methylsulfanyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N,4-dimethyl-6-methylsulfanyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N,4-dimethyl-6-(methylthio)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N,4-dimethyl-6-methylsulfanyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N,4-dimethyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N5O2S2/c1-12-17(20(29-3)25-18(22-12)15-9-6-10-30-15)21(28)26(2)11-16-23-14-8-5-4-7-13(14)19(27)24-16/h4-10H,11H2,1-3H3,(H,23,24,27)