methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(ethoxycarbothioylamino)prop-2-enoate

Systemtic Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(ethoxycarbothioylamino)prop-2-enoate Openeye Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(ethoxycarbothioylamino)prop-2-enoate CAS Name: (E)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-[[ethoxy(sulfanylidene)methyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(ethoxycarbothioylamino)prop-2-enoate Traditional Name: (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(ethoxycarbothioylamino)acrylic acid methyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC(=CNC1=NC(=CC(=N1)C)C)C(=O)OC

Isomeric SMILES

CCOC(=S)N/C(=C/NC1=NC(=CC(=N1)C)C)/C(=O)OC

InChI

InChI=1S/C13H18N4O3S/c1-5-20-13(21)17-10(11(18)19-4)7-14-12-15-8(2)6-9(3)16-12/h6-7H,5H2,1-4H3,(H,17,21)(H,14,15,16)/b10-7+