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

Systemtic Name: 4-azanyl-2-butylsulfanyl-8-[(4-methylsulfonylphenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butylsulfanyl-8-[(4-methylsulfonylphenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(butylthio)-8-[(4-methylsulfonylphenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butylsulfanyl-8-[(4-methylsulfonylphenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(butylthio)-8-(4-mesylbenzyl)-5H-pteridine-6,7-quinone Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S2/c1-3-4-9-28-18-21-14(19)13-15(22-18)23(17(25)16(24)20-13)10-11-5-7-12(8-6-11)29(2,26)27/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)(H2,19,21,22)