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

Systemtic Name: 2-chloranyl-1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-chloro-1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-chloro-1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-chloro-1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-chloro-1-[4-(5-m-anisyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)Cl)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(C)Cl)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27ClN4O2/c1-14(22)21(27)26-10-8-25(9-11-26)20-19(15(2)23-16(3)24-20)13-17-6-5-7-18(12-17)28-4/h5-7,12,14H,8-11,13H2,1-4H3