2-butylsulfanyl-8-methoxy-3,5-dimethyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-butylsulfanyl-8-methoxy-3,5-dimethyl-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-8-methoxy-3,5-dimethyl-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-8-methoxy-3,5-dimethyl-4-pyrimido[5,4-b]indolone IUPAC Name: 2-butylsulfanyl-8-methoxy-3,5-dimethylpyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-8-methoxy-3,5-dimethyl-pyrimid[5,4-b]indol-4-one Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C)N(C3=C2C=C(C=C3)OC)C

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C)N(C3=C2C=C(C=C3)OC)C

InChI

InChI=1S/C17H21N3O2S/c1-5-6-9-23-17-18-14-12-10-11(22-4)7-8-13(12)19(2)15(14)16(21)20(17)3/h7-8,10H,5-6,9H2,1-4H3