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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)Cl

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-26-10-9-24-19(25)18-17(15-7-2-3-8-16(15)22-18)23-20(24)27-12-13-5-4-6-14(21)11-13/h2-8,11,22H,9-10,12H2,1H3