5-[(3-methyl-4-propoxy-phenyl)methyl]-6-oxidanylidene-2-piperidin-1-yl-1H-pyrimidin-4-olate

Systemtic Name: 5-[(3-methyl-4-propoxy-phenyl)methyl]-6-oxidanylidene-2-piperidin-1-yl-1H-pyrimidin-4-olate Openeye Name: 5-[(3-methyl-4-propoxy-phenyl)methyl]-6-oxo-2-(1-piperidyl)-1H-pyrimidin-4-olate CAS Name: 5-[(3-methyl-4-propoxyphenyl)methyl]-6-oxo-2-(1-piperidinyl)-1H-pyrimidin-4-olate IUPAC Name: 5-[(3-methyl-4-propoxyphenyl)methyl]-6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-(3-methyl-4-propoxy-benzyl)-2-piperidino-1H-pyrimidin-4-olate Formula: C20H26N3O3- MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)N3CCCCC3)[O-])C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)N3CCCCC3)[O-])C

InChI

InChI=1S/C20H27N3O3/c1-3-11-26-17-8-7-15(12-14(17)2)13-16-18(24)21-20(22-19(16)25)23-9-5-4-6-10-23/h7-8,12H,3-6,9-11,13H2,1-2H3,(H2,21,22,24,25)/p-1