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8-(isothiocyanatomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione
8-(isothiocyanatomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione
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Canonical SMILES:
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN=C=S)CC3=CC=CC=C3
Isomeric SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN=C=S)CC3=CC=CC=C3
InChI
InChI=1S/C16H15N5O2S/c1-19-14-13(15(22)20(2)16(19)23)21(12(18-14)8-17-10-24)9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
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