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

Systemtic Name: 4-azanyl-8-(phenylmethyl)-2-(phenylmethylsulfanyl)-5H-pteridine-6,7-dione Openeye Name: 4-amino-8-benzyl-2-benzylsulfanyl-5H-pteridine-6,7-dione CAS Name: 4-amino-8-(phenylmethyl)-2-(phenylmethylthio)-5H-pteridine-6,7-dione IUPAC Name: 4-amino-8-benzyl-2-benzylsulfanyl-5H-pteridine-6,7-dione Traditional Name: 4-amino-8-benzyl-2-(benzylthio)-5H-pteridine-6,7-quinone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N)NC(=O)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCC4=CC=CC=C4)N)NC(=O)C2=O

InChI

InChI=1S/C20H17N5O2S/c21-16-15-17(24-20(23-16)28-12-14-9-5-2-6-10-14)25(19(27)18(26)22-15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,22,26)(H2,21,23,24)