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

Systemtic Name: 4-azanyl-2-phenethylsulfanyl-8-(phenylmethyl)-5H-pteridine-6,7-dione Openeye Name: 4-amino-8-benzyl-2-phenethylsulfanyl-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(phenethylthio)-8-(phenylmethyl)-5H-pteridine-6,7-dione IUPAC Name: 4-amino-8-benzyl-2-phenethylsulfanyl-5H-pteridine-6,7-dione Traditional Name: 4-amino-8-benzyl-2-(phenethylthio)-5H-pteridine-6,7-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c22-17-16-18(25-21(24-17)29-12-11-14-7-3-1-4-8-14)26(20(28)19(27)23-16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,23,27)(H2,22,24,25)