2-azanyl-3-(4-azanylpyrimidin-2-yl)-4-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-(4-azanylpyrimidin-2-yl)-4-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]benzenecarbonitrile Openeye Name: 2-amino-3-(4-aminopyrimidin-2-yl)-4-(2,6-dibromo-4-isopropyl-phenyl)benzonitrile CAS Name: 2-amino-3-(4-amino-2-pyrimidinyl)-4-(2,6-dibromo-4-propan-2-ylphenyl)benzonitrile IUPAC Name: 2-amino-3-(4-aminopyrimidin-2-yl)-4-(2,6-dibromo-4-propan-2-ylphenyl)benzonitrile Traditional Name: 2-amino-3-(4-aminopyrimidin-2-yl)-4-(2,6-dibromo-4-isopropyl-phenyl)benzonitrile Formula: C20H17Br2N5 MolecularWeight: 487.19048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Br2N5/c1-10(2)12-7-14(21)17(15(22)8-12)13-4-3-11(9-23)19(25)18(13)20-26-6-5-16(24)27-20/h3-8,10H,25H2,1-2H3,(H2,24,26,27)