2-butan-2-ylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-methoxyphenyl)-2-sec-butylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butan-2-ylthio)-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butan-2-ylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-methoxyphenyl)-2-(sec-butylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)NC4=CC=CC=C42

Isomeric SMILES

CCC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)NC4=CC=CC=C42

InChI

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