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

Systemtic Name: 2,4-bis(2-methylpropylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Openeye Name: 2,4-bis(isobutylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole CAS Name: 2,4-bis(2-methylpropylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole IUPAC Name: 2,4-bis(2-methylpropylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Traditional Name: 2,4-bis(isobutylthio)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indole Formula: C18H27N3S2 MolecularWeight: 349.55708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCC(C)C

Isomeric SMILES

CC(C)CSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCC(C)C

InChI

InChI=1S/C18H27N3S2/c1-11(2)9-22-17-15-13-7-5-6-8-14(13)19-16(15)20-18(21-17)23-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,19,20,21)