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4-azanyl-2-butylsulfanyl-8-(phenylmethyl)-5H-pteridine-6,7-dione

4-azanyl-2-butylsulfanyl-8-(phenylmethyl)-5H-pteridine-6,7-dione

Systemtic Name:4-azanyl-2-butylsulfanyl-8-(phenylmethyl)-5H-pteridine-6,7-dione
Openeye Name:4-amino-8-benzyl-2-butylsulfanyl-5H-pteridine-6,7-dione
CAS Name:4-amino-2-(butylthio)-8-(phenylmethyl)-5H-pteridine-6,7-dione
IUPAC Name:4-amino-8-benzyl-2-butylsulfanyl-5H-pteridine-6,7-dione
Traditional Name:4-amino-8-benzyl-2-(butylthio)-5H-pteridine-6,7-quinone
Formula: C17H19N5O2S
MolecularWeight: 357.43006
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H19N5O2S/c1-2-3-9-25-17-20-13(18)12-14(21-17)22(16(24)15(23)19-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,19,23)(H2,18,20,21)


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