methyl 4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-[(2-keto-2-piperidino-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCCC3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCCC3)O

InChI

InChI=1S/C20H25N3O5S/c1-13(24)11-23-18(26)15-7-6-14(19(27)28-2)10-16(15)21-20(23)29-12-17(25)22-8-4-3-5-9-22/h6-7,10,13,24H,3-5,8-9,11-12H2,1-2H3/t13-/m1/s1