4-azanyl-2-butylsulfanyl-8-[(3,5-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione

Systemtic Name: 4-azanyl-2-butylsulfanyl-8-[(3,5-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butylsulfanyl-8-[(3,5-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(butylthio)-8-[(3,5-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butylsulfanyl-8-[(3,5-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(butylthio)-8-(3,5-dimethoxybenzyl)-5H-pteridine-6,7-quinone Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-4-5-6-29-19-22-15(20)14-16(23-19)24(18(26)17(25)21-14)10-11-7-12(27-2)9-13(8-11)28-3/h7-9H,4-6,10H2,1-3H3,(H,21,25)(H2,20,22,23)