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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)Br)C2=C(C(=C(C=C2)C#N)N)C3=NC=CC(=N3)N)Br

Isomeric SMILES

CCCC1=CC(=C(C(=C1)Br)C2=C(C(=C(C=C2)C#N)N)C3=NC=CC(=N3)N)Br

InChI

InChI=1S/C20H17Br2N5/c1-2-3-11-8-14(21)17(15(22)9-11)13-5-4-12(10-23)19(25)18(13)20-26-7-6-16(24)27-20/h4-9H,2-3,25H2,1H3,(H2,24,26,27)