2,4-bis(methylsulfanyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole

Systemtic Name: 2,4-bis(methylsulfanyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole Openeye Name: 2,4-bis(methylsulfanyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole CAS Name: 2,4-bis(methylthio)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole IUPAC Name: 2,4-bis(methylsulfanyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole Traditional Name: 2,4-bis(methylthio)-9-phenyl-5,6,7,8-tetrahydropyrimid[4,5-b]indole Formula: C18H19N3S2 MolecularWeight: 341.49356

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1C3=C(N2C4=CC=CC=C4)CCCC3)SC

Isomeric SMILES

CSC1=NC(=NC2=C1C3=C(N2C4=CC=CC=C4)CCCC3)SC

InChI

InChI=1S/C18H19N3S2/c1-22-17-15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)16(15)19-18(20-17)23-2/h3-5,8-9H,6-7,10-11H2,1-2H3