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

Systemtic Name: methyl 4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C27H27N7O5 MolecularWeight: 529.54718

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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)OC)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)OC)OC

InChI

InChI=1S/C27H27N7O5/c1-37-20-9-8-18(14-21(20)38-2)19-15-29-23-22(30-19)24(32-27(28)31-23)33-10-12-34(13-11-33)25(35)16-4-6-17(7-5-16)26(36)39-3/h4-9,14-15H,10-13H2,1-3H3,(H2,28,29,31,32)