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

Systemtic Name: (4-chlorophenyl) 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Openeye Name: (4-chlorophenyl) 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 (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 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 (4-chlorophenyl) ester Formula: C25H24ClN7O4 MolecularWeight: 521.95556

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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=C(C=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)OC5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C25H24ClN7O4/c1-35-19-8-3-15(13-20(19)36-2)18-14-28-22-21(29-18)23(31-24(27)30-22)32-9-11-33(12-10-32)25(34)37-17-6-4-16(26)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H2,27,28,30,31)