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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-benzyl-piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-benzylpiperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-benzyl-piperazine-1-carboxamide Formula: C26H28N8O3 MolecularWeight: 500.55232

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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)NCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)NCC5=CC=CC=C5)OC

InChI

InChI=1S/C26H28N8O3/c1-36-20-9-8-18(14-21(20)37-2)19-16-28-23-22(30-19)24(32-25(27)31-23)33-10-12-34(13-11-33)26(35)29-15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,29,35)(H2,27,28,31,32)