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

Systemtic Name: 1-[2-azanyl-5-[(4-bromanyl-2-chloranyl-phenyl)methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[2-amino-5-[(4-bromo-2-chloro-phenyl)methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[2-amino-5-[(4-bromo-2-chlorophenyl)methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[2-amino-5-[(4-bromo-2-chlorophenyl)methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[2-amino-5-(4-bromo-2-chloro-benzyl)pyrimidin-4-yl]-3-piperidone Formula: C16H16BrClN4O MolecularWeight: 395.68144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrClN4O/c17-12-4-3-10(14(18)7-12)6-11-8-20-16(19)21-15(11)22-5-1-2-13(23)9-22/h3-4,7-8H,1-2,5-6,9H2,(H2,19,20,21)