methyl 2-[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C22H28N4O5S/c1-13(2)10-26-20(29)16-7-6-14(21(30)31-3)9-17(16)24-22(26)32-12-18(27)25-8-4-5-15(11-25)19(23)28/h6-7,9,13,15H,4-5,8,10-12H2,1-3H3,(H2,23,28)/t15-/m0/s1