2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-3-ylmethyl)-5H-pteridine-6,7-dione

Systemtic Name: 2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-3-ylmethyl)-5H-pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-4-(dimethylamino)-8-(3-pyridylmethyl)-5H-pteridine-6,7-dione CAS Name: 2-(butylthio)-4-(dimethylamino)-8-(3-pyridinylmethyl)-5H-pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-4-(dimethylamino)-8-(pyridin-3-ylmethyl)-5H-pteridine-6,7-dione Traditional Name: 2-(butylthio)-4-(dimethylamino)-8-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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