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

Systemtic Name: 4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzoic acid Formula: C26H25N7O5 MolecularWeight: 515.5206

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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)C5=CC=C(C=C5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C(=O)O)OC

InChI

InChI=1S/C26H25N7O5/c1-37-19-8-7-17(13-20(19)38-2)18-14-28-22-21(29-18)23(31-26(27)30-22)32-9-11-33(12-10-32)24(34)15-3-5-16(6-4-15)25(35)36/h3-8,13-14H,9-12H2,1-2H3,(H,35,36)(H2,27,28,30,31)