2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1-ethyl-2-benzimidazolyl)-2-[5-methyl-2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(4-methylpiperazino)pyrimidin-4-yl]acetonitrile Formula: C21H25N7 MolecularWeight: 375.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C3=NC(=NC=C3C)N4CCN(CC4)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C#N)C3=NC(=NC=C3C)N4CCN(CC4)C

InChI

InChI=1S/C21H25N7/c1-4-28-18-8-6-5-7-17(18)24-20(28)16(13-22)19-15(2)14-23-21(25-19)27-11-9-26(3)10-12-27/h5-8,14,16H,4,9-12H2,1-3H3