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

Systemtic Name: ethyl (4S)-6-[[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[3-(3-methoxypropyl)-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-[[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C21H26N4O5S/c1-4-30-19(27)17-13(2)22-20(28)23-16(17)12-31-21-24-15-9-6-5-8-14(15)18(26)25(21)10-7-11-29-3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H2,22,23,28)/t13-/m0/s1