3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-phenacylsulfanyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-phenacylsulfanyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-phenacylsulfanyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(phenacylthio)-4-pyrimido[5,4-b]indolone IUPAC Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-phenacylsulfanylpyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-hydroxyethyl)-8-methoxy-5-methyl-2-(phenacylthio)pyrimid[5,4-b]indol-4-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCO

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCO

InChI

InChI=1S/C22H21N3O4S/c1-24-17-9-8-15(29-2)12-16(17)19-20(24)21(28)25(10-11-26)22(23-19)30-13-18(27)14-6-4-3-5-7-14/h3-9,12,26H,10-11,13H2,1-2H3