2-[(3-azanyl-4-methoxy-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-azanyl-4-methoxy-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(3-amino-4-methoxy-phenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(3-amino-4-methoxyphenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(3-amino-4-methoxyphenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(3-amino-4-methoxy-benzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)OC)N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)OC)N)[O-]

InChI

InChI=1S/C15H19N3O2S/c1-3-4-11-8-14(19)18-15(17-11)21-9-10-5-6-13(20-2)12(16)7-10/h5-8H,3-4,9,16H2,1-2H3,(H,17,18,19)/p-1