methyl 3-butyl-2-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NC3CC3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C20H25N3O4S/c1-4-5-10-23-18(25)15-9-6-13(19(26)27-3)11-16(15)22-20(23)28-12(2)17(24)21-14-7-8-14/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3,(H,21,24)/t12-/m1/s1