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

Systemtic Name: ethyl (4S)-4-methyl-6-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-6-[[2-(morpholinomethyl)quinazolin-4-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-6-[[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-6-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[[2-(morpholinomethyl)quinazolin-4-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H27N5O4S/c1-3-31-21(28)19-14(2)23-22(29)25-17(19)13-32-20-15-6-4-5-7-16(15)24-18(26-20)12-27-8-10-30-11-9-27/h4-7,14H,3,8-13H2,1-2H3,(H2,23,25,29)/t14-/m0/s1