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

Systemtic Name: (2-methoxyphenyl) 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Openeye Name: (2-methoxyphenyl) 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 (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 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 (2-methoxyphenyl) ester Formula: C26H27N7O5 MolecularWeight: 517.53648

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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)OC5=CC=CC=C5OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)OC5=CC=CC=C5OC)OC

InChI

InChI=1S/C26H27N7O5/c1-35-18-6-4-5-7-20(18)38-26(34)33-12-10-32(11-13-33)24-22-23(30-25(27)31-24)28-15-17(29-22)16-8-9-19(36-2)21(14-16)37-3/h4-9,14-15H,10-13H2,1-3H3,(H2,27,28,30,31)