1-[2-azanyl-5-[(4-chlorophenyl)methyl]pyrimidin-4-yl]piperidin-3-one

Systemtic Name: 1-[2-azanyl-5-[(4-chlorophenyl)methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[2-amino-5-[(4-chlorophenyl)methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[2-amino-5-[(4-chlorophenyl)methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[2-amino-5-[(4-chlorophenyl)methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[2-amino-5-(4-chlorobenzyl)pyrimidin-4-yl]-3-piperidone Formula: C16H17ClN4O MolecularWeight: 316.78538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CN(C1)C2=NC(=NC=C2CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(=O)CN(C1)C2=NC(=NC=C2CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H17ClN4O/c17-13-5-3-11(4-6-13)8-12-9-19-16(18)20-15(12)21-7-1-2-14(22)10-21/h3-6,9H,1-2,7-8,10H2,(H2,18,19,20)