2-[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-hydroxy-3-methoxy-phenyl)methyl]piperazin-1-yl]-6-(1-piperidylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-1-piperazinyl]-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(piperidinomethyl)-2-(4-vanillylpiperazino)-1H-pyrimidin-4-one Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCCCC4)O

InChI

InChI=1S/C22H31N5O3/c1-30-20-13-17(5-6-19(20)28)15-26-9-11-27(12-10-26)22-23-18(14-21(29)24-22)16-25-7-3-2-4-8-25/h5-6,13-14,28H,2-4,7-12,15-16H2,1H3,(H,23,24,29)