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2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-4-ylmethyl)-5H-pteridine-6,7-dione

2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-4-ylmethyl)-5H-pteridine-6,7-dione

Systemtic Name:2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-4-ylmethyl)-5H-pteridine-6,7-dione
Openeye Name:2-butylsulfanyl-4-(dimethylamino)-8-(4-pyridylmethyl)-5H-pteridine-6,7-dione
CAS Name:2-(butylthio)-4-(dimethylamino)-8-(pyridin-4-ylmethyl)-5H-pteridine-6,7-dione
IUPAC Name:2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-4-ylmethyl)-5H-pteridine-6,7-dione
Traditional Name:2-(butylthio)-4-(dimethylamino)-8-(4-pyridylmethyl)-5H-pteridine-6,7-quinone
Formula: C18H22N6O2S
MolecularWeight: 386.47128
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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N(C)C)NC(=O)C(=O)N2CC3=CC=NC=C3


Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N(C)C)NC(=O)C(=O)N2CC3=CC=NC=C3


InChI

InChI=1S/C18H22N6O2S/c1-4-5-10-27-18-21-14(23(2)3)13-15(22-18)24(17(26)16(25)20-13)11-12-6-8-19-9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,20,25)


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