ethyl 2,4-dimethyl-5-[2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C)C

InChI

InChI=1S/C26H26N4O4S/c1-6-34-25(33)21-15(3)22(28-16(21)4)23(31)17(5)35-26-29-19-10-8-7-9-18(19)24(32)30(26)20-13-14(2)11-12-27-20/h7-13,17,28H,6H2,1-5H3