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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=NC(=NC=C2CC3=C(C=C(C=C3)Br)Cl)N

Isomeric SMILES

C1CN(CCC1=O)C2=NC(=NC=C2CC3=C(C=C(C=C3)Br)Cl)N

InChI

InChI=1S/C16H16BrClN4O/c17-12-2-1-10(14(18)8-12)7-11-9-20-16(19)21-15(11)22-5-3-13(23)4-6-22/h1-2,8-9H,3-7H2,(H2,19,20,21)