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

Systemtic Name: 1-[2-azanyl-5-[(2-chloranyl-4-ethyl-phenyl)methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[2-amino-5-[(2-chloro-4-ethyl-phenyl)methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[2-amino-5-[(2-chloro-4-ethylphenyl)methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[2-amino-5-[(2-chloro-4-ethylphenyl)methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[2-amino-5-(2-chloro-4-ethyl-benzyl)pyrimidin-4-yl]-3-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=C2N3CCCC(=O)C3)N)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)CC2=CN=C(N=C2N3CCCC(=O)C3)N)Cl

InChI

InChI=1S/C18H21ClN4O/c1-2-12-5-6-13(16(19)8-12)9-14-10-21-18(20)22-17(14)23-7-3-4-15(24)11-23/h5-6,8,10H,2-4,7,9,11H2,1H3,(H2,20,21,22)