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

Systemtic Name: [4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-(4-pyridyl)methanone Formula: C24H24N8O3 MolecularWeight: 472.49916

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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=NC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H24N8O3/c1-34-18-4-3-16(13-19(18)35-2)17-14-27-21-20(28-17)22(30-24(25)29-21)31-9-11-32(12-10-31)23(33)15-5-7-26-8-6-15/h3-8,13-14H,9-12H2,1-2H3,(H2,25,27,29,30)