2,4-bis(3-methylbutylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole

Systemtic Name: 2,4-bis(3-methylbutylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Openeye Name: 2,4-bis(isopentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole CAS Name: 2,4-bis(3-methylbutylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole IUPAC Name: 2,4-bis(3-methylbutylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Traditional Name: 2,4-bis(isoamylthio)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indole Formula: C20H31N3S2 MolecularWeight: 377.61024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCCC(C)C

Isomeric SMILES

CC(C)CCSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCCC(C)C

InChI

InChI=1S/C20H31N3S2/c1-13(2)9-11-24-19-17-15-7-5-6-8-16(15)21-18(17)22-20(23-19)25-12-10-14(3)4/h13-14H,5-12H2,1-4H3,(H,21,22,23)