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

Systemtic Name: 2-butylsulfanyl-4-(dimethylamino)-5,8-bis[(5-methyl-1,2-oxazol-3-yl)methyl]pteridine-6,7-dione Openeye Name: 2-butylsulfanyl-4-(dimethylamino)-5,8-bis[(5-methylisoxazol-3-yl)methyl]pteridine-6,7-dione CAS Name: 2-(butylthio)-4-(dimethylamino)-5,8-bis[(5-methyl-3-isoxazolyl)methyl]pteridine-6,7-dione IUPAC Name: 2-butylsulfanyl-4-(dimethylamino)-5,8-bis[(5-methyl-1,2-oxazol-3-yl)methyl]pteridine-6,7-dione Traditional Name: 2-(butylthio)-4-(dimethylamino)-5,8-bis[(5-methylisoxazol-3-yl)methyl]pteridine-6,7-quinone Formula: C22H27N7O4S MolecularWeight: 485.55928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N(C)C)N(C(=O)C(=O)N2CC3=NOC(=C3)C)CC4=NOC(=C4)C

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N(C)C)N(C(=O)C(=O)N2CC3=NOC(=C3)C)CC4=NOC(=C4)C

InChI

InChI=1S/C22H27N7O4S/c1-6-7-8-34-22-23-18(27(4)5)17-19(24-22)29(12-16-10-14(3)33-26-16)21(31)20(30)28(17)11-15-9-13(2)32-25-15/h9-10H,6-8,11-12H2,1-5H3