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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-[4-(phenylsulfonyl)piperazin-1-yl]pteridin-2-amine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-(3,4-dimethoxyphenyl)-2-pteridinamine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine Traditional Name: [4-(4-besylpiperazino)-6-(3,4-dimethoxyphenyl)pteridin-2-yl]amine Formula: C24H25N7O4S MolecularWeight: 507.5648

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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)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H25N7O4S/c1-34-19-9-8-16(14-20(19)35-2)18-15-26-22-21(27-18)23(29-24(25)28-22)30-10-12-31(13-11-30)36(32,33)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,28,29)