1,3-dimethyl-6-phenyl-9,10-dihydro-8H-purino[8,7-b][1,3,5]thiadiazocine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-phenyl-9,10-dihydro-8H-purino[8,7-b][1,3,5]thiadiazocine-2,4-dione Openeye Name: 1,3-dimethyl-6-phenyl-9,10-dihydro-8H-purino[8,7-b][1,3,5]thiadiazocine-2,4-dione CAS Name: 1,3-dimethyl-6-phenyl-9,10-dihydro-8H-purino[8,7-b][1,3,5]thiadiazocine-2,4-dione IUPAC Name: 1,3-dimethyl-6-phenyl-9,10-dihydro-8H-purino[8,7-b][1,3,5]thiadiazocine-2,4-dione Traditional Name: 1,3-dimethyl-6-phenyl-9,10-dihydro-8H-purino[8,7-b][1,3,5]thiadiazocine-2,4-quinone Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=NCCCSC3=N2)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=NCCCSC3=N2)C4=CC=CC=C4

InChI

InChI=1S/C17H17N5O2S/c1-20-14-12(15(23)21(2)17(20)24)22-13(11-7-4-3-5-8-11)18-9-6-10-25-16(22)19-14/h3-5,7-8H,6,9-10H2,1-2H3