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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-7H-purin-6-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-isopropyl-7H-purin-6-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-7H-purin-6-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-7H-purin-6-one Traditional Name: 8-isopropyl-3-piperonyl-7H-purin-6-one Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=O)N=CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=O)N=CN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H16N4O3/c1-9(2)14-18-13-15(19-14)20(7-17-16(13)21)6-10-3-4-11-12(5-10)23-8-22-11/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)