1,3-dimethyl-7-[2-(4-nitrophenyl)ethylsulfanyl]pteridine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethylsulfanyl]pteridine-2,4-dione Openeye Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethylsulfanyl]pteridine-2,4-dione CAS Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethylthio]pteridine-2,4-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethylsulfanyl]pteridine-2,4-dione Traditional Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethylthio]pteridine-2,4-quinone Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=CN=C2C(=O)N(C1=O)C)SCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=NC(=CN=C2C(=O)N(C1=O)C)SCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-19-14-13(15(22)20(2)16(19)23)17-9-12(18-14)26-8-7-10-3-5-11(6-4-10)21(24)25/h3-6,9H,7-8H2,1-2H3