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

Systemtic Name: methyl 3-butyl-2-[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-6-7-10-24-19(26)16-9-8-15(20(27)28-5)11-17(16)23-21(24)29-14(4)18(25)22-12-13(2)3/h8-9,11,13-14H,6-7,10,12H2,1-5H3,(H,22,25)/t14-/m1/s1