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

Systemtic Name: 3-chloranyl-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-chloro-propan-1-one CAS Name: 3-chloro-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-chloropropan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-3-chloro-propan-1-one Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-3-19-18(15-17-7-5-4-6-8-17)21(24-16(2)23-19)26-13-11-25(12-14-26)20(27)9-10-22/h4-8H,3,9-15H2,1-2H3