3-(2-methoxyethyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-(o-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[(2-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-methoxyethyl)-2-[(2-methylbenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2S/c1-14-7-3-4-8-15(14)13-27-21-23-18-16-9-5-6-10-17(16)22-19(18)20(25)24(21)11-12-26-2/h3-10,22H,11-13H2,1-2H3