[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-cyclopropyl-methanone Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN4O/c1-3-20-19(14-16-4-8-18(23)9-5-16)21(25-15(2)24-20)26-10-12-27(13-11-26)22(28)17-6-7-17/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3