4-azanyl-2-[2-[[4-(4-cyanophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethylamino]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[[4-(4-cyanophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethylamino]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[[4-(4-cyanophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethylamino]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-[[4-(4-cyanophenyl)-5-(1-imidazolyl)-2-pyrimidinyl]amino]ethylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[[4-(4-cyanophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethylamino]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-[[4-(4-cyanophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethylamino]pyrimidine-5-carbonitrile Formula: C21H17N11 MolecularWeight: 423.43338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C21H17N11/c22-9-14-1-3-15(4-2-14)18-17(32-8-7-25-13-32)12-29-20(30-18)26-5-6-27-21-28-11-16(10-23)19(24)31-21/h1-4,7-8,11-13H,5-6H2,(H,26,29,30)(H3,24,27,28,31)