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

Systemtic Name: 4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile Formula: C26H24N8O3 MolecularWeight: 496.52056

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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)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H24N8O3/c1-36-20-8-7-18(13-21(20)37-2)19-15-29-23-22(30-19)24(32-26(28)31-23)33-9-11-34(12-10-33)25(35)17-5-3-16(14-27)4-6-17/h3-8,13,15H,9-12H2,1-2H3,(H2,28,29,31,32)