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

Systemtic Name: 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Openeye Name: 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole CAS Name: 2,4-bis(pentylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole IUPAC Name: 2,4-bis(pentylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Traditional Name: 2,4-bis(amylthio)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indole Formula: C20H31N3S2 MolecularWeight: 377.61024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCCCCC

Isomeric SMILES

CCCCCSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCCCCC

InChI

InChI=1S/C20H31N3S2/c1-3-5-9-13-24-19-17-15-11-7-8-12-16(15)21-18(17)22-20(23-19)25-14-10-6-4-2/h3-14H2,1-2H3,(H,21,22,23)