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

Systemtic Name: 1-[2-azanyl-5-[(2-chloranyl-4-ethyl-phenyl)methyl]pyrimidin-4-yl]piperidin-4-one Openeye Name: 1-[2-amino-5-[(2-chloro-4-ethyl-phenyl)methyl]pyrimidin-4-yl]piperidin-4-one CAS Name: 1-[2-amino-5-[(2-chloro-4-ethylphenyl)methyl]-4-pyrimidinyl]-4-piperidinone IUPAC Name: 1-[2-amino-5-[(2-chloro-4-ethylphenyl)methyl]pyrimidin-4-yl]piperidin-4-one Traditional Name: 1-[2-amino-5-(2-chloro-4-ethyl-benzyl)pyrimidin-4-yl]-4-piperidone Formula: C18H21ClN4O MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC2=CN=C(N=C2N3CCC(=O)CC3)N)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)CC2=CN=C(N=C2N3CCC(=O)CC3)N)Cl

InChI

InChI=1S/C18H21ClN4O/c1-2-12-3-4-13(16(19)9-12)10-14-11-21-18(20)22-17(14)23-7-5-15(24)6-8-23/h3-4,9,11H,2,5-8,10H2,1H3,(H2,20,21,22)