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

Systemtic Name: 3-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-(m-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[(3-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-methoxyethyl)-2-[(3-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=C1)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43

InChI

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