6-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pteridin-2-amine

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-[4-(2-pyrimidyl)piperazino]pteridin-2-yl]amine Formula: C22H23N9O2 MolecularWeight: 445.47712

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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)C5=NC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C5=NC=CC=N5)OC

InChI

InChI=1S/C22H23N9O2/c1-32-16-5-4-14(12-17(16)33-2)15-13-26-19-18(27-15)20(29-21(23)28-19)30-8-10-31(11-9-30)22-24-6-3-7-25-22/h3-7,12-13H,8-11H2,1-2H3,(H2,23,26,28,29)