(phenylmethyl) 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylic acid benzyl ester Formula: C26H27N7O4 MolecularWeight: 501.53708

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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)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C26H27N7O4/c1-35-20-9-8-18(14-21(20)36-2)19-15-28-23-22(29-19)24(31-25(27)30-23)32-10-12-33(13-11-32)26(34)37-16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H2,27,28,30,31)