6-[2-[[5-imidazol-1-yl-4-(4-isocyanophenyl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[5-imidazol-1-yl-4-(4-isocyanophenyl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[5-imidazol-1-yl-4-(4-isocyanophenyl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[5-(1-imidazolyl)-4-(4-isocyanophenyl)-2-pyrimidinyl]amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[5-imidazol-1-yl-4-(4-isocyanophenyl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[5-imidazol-1-yl-4-(4-isocyanophenyl)pyrimidin-2-yl]amino]ethylamino]nicotinonitrile Formula: C22H17N9 MolecularWeight: 407.43068

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC=C(C=C4)C#N

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H17N9/c1-24-18-5-3-17(4-6-18)21-19(31-11-10-25-15-31)14-29-22(30-21)27-9-8-26-20-7-2-16(12-23)13-28-20/h2-7,10-11,13-15H,8-9H2,(H,26,28)(H,27,29,30)