6-chloranyl-N-[(4-methylsulfonylphenyl)methyl]-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine

Systemtic Name: 6-chloranyl-N-[(4-methylsulfonylphenyl)methyl]-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine Openeye Name: 6-chloro-N-[(4-methylsulfonylphenyl)methyl]-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine CAS Name: 6-chloro-N-[(4-methylsulfonylphenyl)methyl]-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinamine IUPAC Name: 6-chloro-N-[(4-methylsulfonylphenyl)methyl]-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine Traditional Name: (6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)-(4-mesylbenzyl)amine Formula: C22H27ClN8O2S MolecularWeight: 503.02018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC3=C(C(=NC(=N3)N4CCNCC4)N5CCCC5)N=C2Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC3=C(C(=NC(=N3)N4CCNCC4)N5CCCC5)N=C2Cl

InChI

InChI=1S/C22H27ClN8O2S/c1-34(32,33)16-6-4-15(5-7-16)14-25-20-18(23)26-17-19(27-20)28-22(31-12-8-24-9-13-31)29-21(17)30-10-2-3-11-30/h4-7,24H,2-3,8-14H2,1H3,(H,25,27,28,29)