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

Systemtic Name: 3-(2-methoxyethyl)-2-(3-methylbutylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-isopentylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-(3-methylbutylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-(3-methylbutylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(isoamylthio)-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

InChI

InChI=1S/C18H23N3O2S/c1-12(2)8-11-24-18-20-15-13-6-4-5-7-14(13)19-16(15)17(22)21(18)9-10-23-3/h4-7,12,19H,8-11H2,1-3H3