methyl 2,4-dimethyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[4-(methylamino)-2-quinazolinyl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[[4-(methylamino)quinazolin-2-yl]thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C19H20N4O3S/c1-10-15(18(25)26-4)11(2)21-16(10)14(24)9-27-19-22-13-8-6-5-7-12(13)17(20-3)23-19/h5-8,21H,9H2,1-4H3,(H,20,22,23)