2,4-dimethyl-6-(4-oxidanylbutyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-6-(4-oxidanylbutyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-hydroxybutyl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCCO)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCCO)C4=CC=CS4

InChI

InChI=1S/C17H19N5O3S/c1-19-14-13(15(24)20(2)17(19)25)22-10-11(12-6-5-9-26-12)21(16(22)18-14)7-3-4-8-23/h5-6,9-10,23H,3-4,7-8H2,1-2H3