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

Systemtic Name: 2,4-bis(methylsulfonyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole Openeye Name: 2,4-bis(methylsulfonyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole CAS Name: 2,4-bis(methylsulfonyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole IUPAC Name: 2,4-bis(methylsulfonyl)-9-phenyl-5,6,7,8-tetrahydropyrimido[4,5-b]indole Traditional Name: 2,4-dimesyl-9-phenyl-5,6,7,8-tetrahydropyrimid[4,5-b]indole Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NC2=C1C3=C(N2C4=CC=CC=C4)CCCC3)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=NC(=NC2=C1C3=C(N2C4=CC=CC=C4)CCCC3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O4S2/c1-26(22,23)17-15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)16(15)19-18(20-17)27(2,24)25/h3-5,8-9H,6-7,10-11H2,1-2H3