6-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-2-one

Systemtic Name: 6-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-2-one Openeye Name: 6-amino-5-[(4-hydroxy-3-methoxy-phenyl)methyl]-1H-pyrimidin-2-one CAS Name: 6-amino-5-[(4-hydroxy-3-methoxyphenyl)methyl]-1H-pyrimidin-2-one IUPAC Name: 6-amino-5-[(4-hydroxy-3-methoxyphenyl)methyl]-1H-pyrimidin-2-one Traditional Name: 6-amino-5-vanillyl-1H-pyrimidin-2-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(NC(=O)N=C2)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(NC(=O)N=C2)N)O

InChI

InChI=1S/C12H13N3O3/c1-18-10-5-7(2-3-9(10)16)4-8-6-14-12(17)15-11(8)13/h2-3,5-6,16H,4H2,1H3,(H3,13,14,15,17)