methyl 3-[2-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-14(19(26)22-15-8-4-3-5-9-15)29-21-23-17-11-7-6-10-16(17)20(27)24(21)13-12-18(25)28-2/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,22,26)