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

Systemtic Name: 1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-2-phenoxy-ethanone 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)COC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)COC5=CC=CC=C5)OC

InChI

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