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

Systemtic Name: O-(phenylmethyl) N-[(E)-3-azanyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxidanylidene-prop-1-en-2-yl]carbamothioate Openeye Name: O-benzyl 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-(phenylmethyl) ester IUPAC Name: O-benzyl 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-benzyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C(=O)N)NC(=S)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C(\C(=O)N)/NC(=S)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H19N5O2S/c1-11-8-12(2)21-16(20-11)19-9-14(15(18)23)22-17(25)24-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,18,23)(H,22,25)(H,19,20,21)/b14-9+