2-[4-ethyl-6-[4-(2-methoxyethanoyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-ethyl-6-[4-(2-methoxyethanoyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-ethyl-6-[4-(2-methoxyacetyl)piperazin-1-yl]-5-(m-tolylmethyl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-ethyl-6-[4-(2-methoxy-1-oxoethyl)-1-piperazinyl]-5-[(3-methylphenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-ethyl-6-[4-(2-methoxyacetyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-ethyl-6-[4-(2-methoxyacetyl)piperazino]-5-(3-methylbenzyl)pyrimidin-2-yl]acetonitrile Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)COC)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)COC)CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H29N5O2/c1-4-20-19(15-18-7-5-6-17(2)14-18)23(26-21(25-20)8-9-24)28-12-10-27(11-13-28)22(29)16-30-3/h5-7,14H,4,8,10-13,15-16H2,1-3H3