(Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-isocyanato-but-2-enethioic S-acid

Systemtic Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-isocyanato-but-2-enethioic S-acid Openeye Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-isocyanato-but-2-enethioic S-acid CAS Name: (Z)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-isocyanato-2-butenethioic S-acid IUPAC Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-isocyanatobut-2-enethioic S-acid Traditional Name: (Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-isocyanato-but-2-enethioic S-acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=C(C(=O)S)N=C=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=C(/C(=O)S)\N=C=O)/C)C

InChI

InChI=1S/C11H12N4O2S/c1-6-4-7(2)14-11(13-6)15-8(3)9(10(17)18)12-5-16/h4H,1-3H3,(H,17,18)(H,13,14,15)/b9-8-