methyl 3-[2-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-14-7-9-15(10-8-14)22-18(25)13-29-21-23-17-6-4-3-5-16(17)20(27)24(21)12-11-19(26)28-2/h3-6,14-15H,7-13H2,1-2H3,(H,22,25)