6,7-dimethyl-8-oxidanyl-4-(phenylmethylsulfanyl)pteridin-2-imine

Systemtic Name: 6,7-dimethyl-8-oxidanyl-4-(phenylmethylsulfanyl)pteridin-2-imine Openeye Name: 4-benzylsulfanyl-8-hydroxy-6,7-dimethyl-pteridin-2-imine CAS Name: 8-hydroxy-6,7-dimethyl-4-(phenylmethylthio)-2-pteridinimine IUPAC Name: 4-benzylsulfanyl-8-hydroxy-6,7-dimethylpteridin-2-imine Traditional Name: [4-(benzylthio)-8-hydroxy-6,7-dimethyl-pteridin-2-ylidene]amine Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC(=N)N=C(C2=N1)SCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(N(C2=NC(=N)N=C(C2=N1)SCC3=CC=CC=C3)O)C

InChI

InChI=1S/C15H15N5OS/c1-9-10(2)20(21)13-12(17-9)14(19-15(16)18-13)22-8-11-6-4-3-5-7-11/h3-7,16,21H,8H2,1-2H3