[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone

Systemtic Name: [1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [1-[(2-aminopyrimidin-5-yl)methyl]-3-piperidyl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidinyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: [1-[(2-aminopyrimidin-5-yl)methyl]-3-piperidyl]-(5-chloro-2-methoxy-phenyl)methanone Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)N

InChI

InChI=1S/C18H21ClN4O2/c1-25-16-5-4-14(19)7-15(16)17(24)13-3-2-6-23(11-13)10-12-8-21-18(20)22-9-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3,(H2,20,21,22)