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

Systemtic Name: 2-azanyl-4-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-4-(2,6-dibromo-4-methyl-anilino)-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-4-(2,6-dibromo-4-methylanilino)-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-4-(2,6-dibromo-4-methylanilino)-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-4-(2,6-dibromo-4-methyl-anilino)-3-(2-pyrimidyl)benzonitrile Formula: C18H13Br2N5 MolecularWeight: 459.13732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)Br

InChI

InChI=1S/C18H13Br2N5/c1-10-7-12(19)17(13(20)8-10)25-14-4-3-11(9-21)16(22)15(14)18-23-5-2-6-24-18/h2-8,25H,22H2,1H3