3-(4-ethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-ethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-ethoxyphenyl)-2-(propylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-ethoxyphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-p-phenetyl-2-(propylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OCC)NC4=CC=CC=C42

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OCC)NC4=CC=CC=C42

InChI

InChI=1S/C21H21N3O2S/c1-3-13-27-21-23-18-16-7-5-6-8-17(16)22-19(18)20(25)24(21)14-9-11-15(12-10-14)26-4-2/h5-12,22H,3-4,13H2,1-2H3