4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3,4-dimethoxyphenyl)-2-pteridinamine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-(4-piperonylpiperazino)pteridin-2-yl]amine 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)CC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC

InChI

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