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

Systemtic Name: O-(phenylmethyl) N-[1-azanyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-oxidanylidene-propan-2-yl]carbamothioate Openeye Name: O-benzyl N-[2-amino-1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-2-oxo-ethyl]carbamothioate CAS Name: N-[1-amino-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxopropan-2-yl]carbamothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl N-[1-amino-3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamothioate Traditional Name: N-[2-amino-1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-2-keto-ethyl]thiocarbamic acid O-benzyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/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/h3-8,14H,9-10H2,1-2H3,(H2,18,23)(H,22,25)(H,19,20,21)