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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-isopropyl-2-thioxo-7H-purin-6-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-isopropyl-3-piperonyl-2-thioxo-7H-purin-6-one Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-8(2)13-17-12-14(18-13)20(16(24)19-15(12)21)6-9-3-4-10-11(5-9)23-7-22-10/h3-5,8H,6-7H2,1-2H3,(H,17,18)(H,19,21,24)