O-methyl N-[(E)-3-azanyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxidanylidene-prop-1-en-2-yl]carbamothioate

Systemtic Name: O-methyl N-[(E)-3-azanyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxidanylidene-prop-1-en-2-yl]carbamothioate Openeye Name: O-methyl N-[(E)-1-carbamoyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]vinyl]carbamothioate CAS Name: N-[(E)-3-amino-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-oxoprop-1-en-2-yl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[(E)-3-amino-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamothioate Traditional Name: N-[(E)-1-carbamoyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]vinyl]thiocarbamic acid O-methyl ester Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O2S/c1-6-4-7(2)15-10(14-6)13-5-8(9(12)17)16-11(19)18-3/h4-5H,1-3H3,(H2,12,17)(H,16,19)(H,13,14,15)/b8-5+