3-(1,3-benzodioxol-5-yl)-1-hexyl-7H-purine-2,6-dione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-hexyl-7H-purine-2,6-dione Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-hexyl-7H-purine-2,6-dione CAS Name: 3-(1,3-benzodioxol-5-yl)-1-hexyl-7H-purine-2,6-dione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-hexyl-7H-purine-2,6-dione Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-hexyl-7H-purine-2,6-quinone Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O4/c1-2-3-4-5-8-21-17(23)15-16(20-10-19-15)22(18(21)24)12-6-7-13-14(9-12)26-11-25-13/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,20)