5-bromanyl-2-(phenylmethylsulfanyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-(phenylmethylsulfanyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(phenylmethylthio)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyrimidine-4-carboxamide Formula: C25H23BrN4OS MolecularWeight: 507.44532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=O)C4=NC(=NC=C4Br)SCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)CNC(=O)C4=NC(=NC=C4Br)SCC5=CC=CC=C5

InChI

InChI=1S/C25H23BrN4OS/c26-20-14-28-25(32-15-16-6-2-1-3-7-16)30-23(20)24(31)27-13-17-10-11-22-19(12-17)18-8-4-5-9-21(18)29-22/h1-3,6-7,10-12,14,29H,4-5,8-9,13,15H2,(H,27,31)