3-(2-methoxy-5-methyl-phenyl)-2-prop-2-enylsulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-prop-2-enylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-allylsulfanyl-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-(prop-2-enylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-prop-2-enylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(allylthio)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC=C

InChI

InChI=1S/C21H19N3O2S/c1-4-11-27-21-23-18-14-7-5-6-8-15(14)22-19(18)20(25)24(21)16-12-13(2)9-10-17(16)26-3/h4-10,12,22H,1,11H2,2-3H3