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

Systemtic Name: 6-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1H-pyrimidine-2-thione Openeye Name: 6-amino-5-[(4-hydroxy-3-methoxy-phenyl)methyl]-1H-pyrimidine-2-thione CAS Name: 6-amino-5-[(4-hydroxy-3-methoxyphenyl)methyl]-1H-pyrimidine-2-thione IUPAC Name: 6-amino-5-[(4-hydroxy-3-methoxyphenyl)methyl]-1H-pyrimidine-2-thione Traditional Name: 6-amino-5-vanillyl-1H-pyrimidine-2-thione Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-17-10-5-7(2-3-9(10)16)4-8-6-14-12(18)15-11(8)13/h2-3,5-6,16H,4H2,1H3,(H3,13,14,15,18)