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

Systemtic Name: 2-azanyl-5-[(3-methoxycarbonyl-4-propoxy-phenyl)methyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-amino-5-[(3-methoxycarbonyl-4-propoxy-phenyl)methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-amino-5-[(3-methoxycarbonyl-4-propoxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-amino-5-[(3-methoxycarbonyl-4-propoxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-amino-5-(3-carbomethoxy-4-propoxy-benzyl)-6-keto-1H-pyrimidin-4-olate Formula: C16H18N3O5- MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-3-6-24-12-5-4-9(7-10(12)15(22)23-2)8-11-13(20)18-16(17)19-14(11)21/h4-5,7H,3,6,8H2,1-2H3,(H4,17,18,19,20,21)/p-1