4-azanyl-2-(2-methylsulfonylethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

Systemtic Name: 4-azanyl-2-(2-methylsulfonylethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one Openeye Name: 4-amino-2-(2-methylsulfonylethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one CAS Name: 4-amino-2-(2-methylsulfonylethylamino)-8-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one IUPAC Name: 4-amino-2-(2-methylsulfonylethylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one Traditional Name: 4-amino-2-(2-mesylethylamino)-8-[3-(pyrrolidinomethyl)benzyl]-5,7-dihydropteridin-6-one Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CS(=O)(=O)CCNC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H29N7O3S/c1-32(30,31)10-7-23-21-25-19(22)18-20(26-21)28(14-17(29)24-18)13-16-6-4-5-15(11-16)12-27-8-2-3-9-27/h4-6,11H,2-3,7-10,12-14H2,1H3,(H,24,29)(H3,22,23,25,26)