2-butylsulfanyl-4-(dimethylamino)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-5H-pteridine-6,7-dione

Systemtic Name: 2-butylsulfanyl-4-(dimethylamino)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-5H-pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-4-(dimethylamino)-8-[(5-methylisoxazol-3-yl)methyl]-5H-pteridine-6,7-dione CAS Name: 2-(butylthio)-4-(dimethylamino)-8-[(5-methyl-3-isoxazolyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-4-(dimethylamino)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-5H-pteridine-6,7-dione Traditional Name: 2-(butylthio)-4-(dimethylamino)-8-[(5-methylisoxazol-3-yl)methyl]-5H-pteridine-6,7-quinone Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3S/c1-5-6-7-27-17-19-13(22(3)4)12-14(20-17)23(16(25)15(24)18-12)9-11-8-10(2)26-21-11/h8H,5-7,9H2,1-4H3,(H,18,24)