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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-isopropyl-7H-purine-2,6-dione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 8-isopropyl-3-piperonyl-7H-purine-2,6-quinone Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=O)NC(=O)N2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=O)NC(=O)N2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H16N4O4/c1-8(2)13-17-12-14(18-13)20(16(22)19-15(12)21)6-9-3-4-10-11(5-9)24-7-23-10/h3-5,8H,6-7H2,1-2H3,(H,17,18)(H,19,21,22)