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

Systemtic Name: 2,4-dimethyl-6-(3-oxidanylpropyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c1-18-13-12(14(23)19(2)16(18)24)21-9-10(11-5-3-8-25-11)20(6-4-7-22)15(21)17-13/h3,5,8-9,22H,4,6-7H2,1-2H3