ethyl (4S)-6-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H25ClN4O4S/c1-5-30-19(28)17-12(4)23-20(29)24-16(17)10-31-21-25-15-7-6-13(22)8-14(15)18(27)26(21)9-11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,23,24,29)/t12-/m0/s1