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

Systemtic Name: 3-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-3-chloro-propan-1-one CAS Name: 3-chloro-1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-chloropropan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-3-chloro-propan-1-one Formula: C20H25ClN4O MolecularWeight: 372.8917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O/c1-15-18(14-17-6-4-3-5-7-17)20(23-16(2)22-15)25-12-10-24(11-13-25)19(26)8-9-21/h3-7H,8-14H2,1-2H3