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

Systemtic Name: 2,4-bis(furan-2-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Openeye Name: 2,4-bis(2-furylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole CAS Name: 2,4-bis(2-furanylmethylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole IUPAC Name: 2,4-bis(furan-2-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Traditional Name: 2,4-bis(2-furfurylthio)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indole Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC4=CC=CO4)SCC5=CC=CO5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC4=CC=CO4)SCC5=CC=CO5

InChI

InChI=1S/C20H19N3O2S2/c1-2-8-16-15(7-1)17-18(21-16)22-20(27-12-14-6-4-10-25-14)23-19(17)26-11-13-5-3-9-24-13/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,22,23)