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

Systemtic Name: 4-azanyl-2-methylsulfanyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one Openeye Name: 4-amino-2-methylsulfanyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one CAS Name: 4-amino-2-(methylthio)-8-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one IUPAC Name: 4-amino-2-methylsulfanyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one Traditional Name: 4-amino-2-(methylthio)-8-[3-(pyrrolidinomethyl)benzyl]-5,7-dihydropteridin-6-one Formula: C19H24N6OS MolecularWeight: 384.49846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)NC(=O)CN2CC3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C19H24N6OS/c1-27-19-22-17(20)16-18(23-19)25(12-15(26)21-16)11-14-6-4-5-13(9-14)10-24-7-2-3-8-24/h4-6,9H,2-3,7-8,10-12H2,1H3,(H,21,26)(H2,20,22,23)