4-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]pyrimidin-2-amine

Systemtic Name: 4-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]pyrimidin-2-amine Openeye Name: 4-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]pyrimidin-2-amine CAS Name: 4-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-pyrimidinamine IUPAC Name: 4-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine Traditional Name: [4-(6-bromo-1-tosyl-indol-3-yl)pyrimidin-2-yl]amine Formula: C19H15BrN4O2S MolecularWeight: 443.317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)C4=NC(=NC=C4)N

InChI

InChI=1S/C19H15BrN4O2S/c1-12-2-5-14(6-3-12)27(25,26)24-11-16(17-8-9-22-19(21)23-17)15-7-4-13(20)10-18(15)24/h2-11H,1H3,(H2,21,22,23)