[3-(2,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [3-(2,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [3-(2,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]methyl-[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]ammonium CAS Name: [3-(2,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]methyl-[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [3-(2,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]methyl-[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-carbomethoxy-3-(methylthio)propyl]-[[3-(2,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]methyl]ammonium Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]C(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+][C@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C23H27N3O5S/c1-29-15-9-10-19(20(13-15)30-2)26-21(14-24-18(11-12-32-4)23(28)31-3)25-17-8-6-5-7-16(17)22(26)27/h5-10,13,18,24H,11-12,14H2,1-4H3/p+1/t18-/m1/s1