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

Systemtic Name: 4-azanyl-2-butylsulfanyl-8-[(2-phenylphenyl)methyl]-5H-pteridine-6,7-dione Openeye Name: 4-amino-2-butylsulfanyl-8-[(2-phenylphenyl)methyl]-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(butylthio)-8-[(2-phenylphenyl)methyl]-5H-pteridine-6,7-dione IUPAC Name: 4-amino-2-butylsulfanyl-8-[(2-phenylphenyl)methyl]-5H-pteridine-6,7-dione Traditional Name: 4-amino-2-(butylthio)-8-(2-phenylbenzyl)-5H-pteridine-6,7-quinone Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)C(=O)N2CC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-2-3-13-31-23-26-19(24)18-20(27-23)28(22(30)21(29)25-18)14-16-11-7-8-12-17(16)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,25,29)(H2,24,26,27)