2-azanyl-3-[4-[[2,6-bis(bromanyl)-4-propyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-[[2,6-bis(bromanyl)-4-propyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-(2,6-dibromo-4-propyl-anilino)-5-methyl-pyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-(2,6-dibromo-4-propylanilino)-5-methyl-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-(2,6-dibromo-4-propylanilino)-5-methylpyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-(2,6-dibromo-4-propyl-anilino)-5-methyl-pyrimidin-2-yl]benzonitrile Formula: C21H19Br2N5 MolecularWeight: 501.21706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)Br)NC2=NC(=NC=C2C)C3=CC=CC(=C3N)C#N)Br

Isomeric SMILES

CCCC1=CC(=C(C(=C1)Br)NC2=NC(=NC=C2C)C3=CC=CC(=C3N)C#N)Br

InChI

InChI=1S/C21H19Br2N5/c1-3-5-13-8-16(22)19(17(23)9-13)27-20-12(2)11-26-21(28-20)15-7-4-6-14(10-24)18(15)25/h4,6-9,11H,3,5,25H2,1-2H3,(H,26,27,28)