4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-4-keto-butyric acid Formula: C22H25N7O5 MolecularWeight: 467.4778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)CCC(=O)O)OC

InChI

InChI=1S/C22H25N7O5/c1-33-15-4-3-13(11-16(15)34-2)14-12-24-20-19(25-14)21(27-22(23)26-20)29-9-7-28(8-10-29)17(30)5-6-18(31)32/h3-4,11-12H,5-10H2,1-2H3,(H,31,32)(H2,23,24,26,27)