6-(3,4-dimethoxyphenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pteridin-2-amine

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pteridin-2-amine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-pteridinamine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine Traditional Name: [4-(4-benzylsulfonylpiperazino)-6-(3,4-dimethoxyphenyl)pteridin-2-yl]amine Formula: C25H27N7O4S MolecularWeight: 521.59138

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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)CC5=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)CC5=CC=CC=C5)OC

InChI

InChI=1S/C25H27N7O4S/c1-35-20-9-8-18(14-21(20)36-2)19-15-27-23-22(28-19)24(30-25(26)29-23)31-10-12-32(13-11-31)37(33,34)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H2,26,27,29,30)