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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C)C

InChI

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