3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-8-isopropyl-7H-purine-2,6-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 1-ethyl-8-isopropyl-3-piperonyl-7H-purine-2,6-quinone Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O4/c1-4-21-17(23)14-16(20-15(19-14)10(2)3)22(18(21)24)8-11-5-6-12-13(7-11)26-9-25-12/h5-7,10H,4,8-9H2,1-3H3,(H,19,20)