3-[2-azanyl-4-(4-methoxyphenyl)-7-oxidanylidene-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-4-(4-methoxyphenyl)-7-oxidanylidene-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid CAS Name: 3-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[2-amino-7-keto-4-(4-methoxyphenyl)-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propionic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3CN(C(=O)C3=NC(=N2)N)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CN(C(=O)C3=NC(=N2)N)CCC(=O)O

InChI

InChI=1S/C16H16N4O4/c1-24-10-4-2-9(3-5-10)13-11-8-20(7-6-12(21)22)15(23)14(11)19-16(17)18-13/h2-5H,6-8H2,1H3,(H,21,22)(H2,17,18,19)