dimethyl 5-azanyl-3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(=O)OC)N

InChI

InChI=1S/C20H21N3O6S2/c1-28-18(26)14-12(15(19(27)29-2)31-16(14)21)10-30-20-22-13-7-4-3-6-11(13)17(25)23(20)8-5-9-24/h3-4,6-7,24H,5,8-10,21H2,1-2H3