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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)Br)NC2=C(C=C(C(=C2C3=NC=CC=N3)N)C#N)C)Br

Isomeric SMILES

CCCC1=CC(=C(C(=C1)Br)NC2=C(C=C(C(=C2C3=NC=CC=N3)N)C#N)C)Br

InChI

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