2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-morpholino-2-oxo-ethyl)sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

InChI

InChI=1S/C22H19N5O5S/c28-18(25-9-11-32-12-10-25)13-33-22-24-19-16-3-1-2-4-17(16)23-20(19)21(29)26(22)14-5-7-15(8-6-14)27(30)31/h1-8,23H,9-13H2