3-[5-chloranyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[5-chloranyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-(benzylamino)-5-chloro-pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-[(phenylmethyl)amino]-4-pyrimidinyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-[2-(benzylamino)-5-chloropyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-[2-(benzylamino)-5-chloro-pyrimidin-4-yl]-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C22H17ClN6O MolecularWeight: 416.86298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=NC(=NC=C3Cl)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=NC(=NC=C3Cl)NCC4=CC=CC=C4

InChI

InChI=1S/C22H17ClN6O/c1-29-18-10-6-5-9-17(18)27-21(29)15(11-24)20(30)19-16(23)13-26-22(28-19)25-12-14-7-3-2-4-8-14/h2-10,13,15H,12H2,1H3,(H,25,26,28)