methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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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)NCC#C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-4-7-19-15(23)10-27-18-20-14-8-12(17(25)26-3)5-6-13(14)16(24)21(18)9-11(2)22/h1,5-6,8,11,22H,7,9-10H2,2-3H3,(H,19,23)/t11-/m1/s1