3-chloranyl-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 3-chloranyl-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-chloro-2,2-dimethyl-propan-1-one CAS Name: 3-chloro-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-chloro-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-3-chloro-2,2-dimethyl-propan-1-one Formula: C23H31ClN4O MolecularWeight: 414.97144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)(C)CCl)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)(C)CCl)CC3=CC=CC=C3

InChI

InChI=1S/C23H31ClN4O/c1-5-20-19(15-18-9-7-6-8-10-18)21(26-17(2)25-20)27-11-13-28(14-12-27)22(29)23(3,4)16-24/h6-10H,5,11-16H2,1-4H3