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

Systemtic Name: 1-[2-azanyl-5-[(2-chloranyl-4-methyl-phenyl)methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[2-amino-5-[(2-chloro-4-methyl-phenyl)methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[2-amino-5-[(2-chloro-4-methylphenyl)methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[2-amino-5-[(2-chloro-4-methylphenyl)methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[2-amino-5-(2-chloro-4-methyl-benzyl)pyrimidin-4-yl]-3-piperidone Formula: C17H19ClN4O MolecularWeight: 330.81196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=CN=C(N=C2N3CCCC(=O)C3)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=CN=C(N=C2N3CCCC(=O)C3)N)Cl

InChI

InChI=1S/C17H19ClN4O/c1-11-4-5-12(15(18)7-11)8-13-9-20-17(19)21-16(13)22-6-2-3-14(23)10-22/h4-5,7,9H,2-3,6,8,10H2,1H3,(H2,19,20,21)