ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]acetate CAS Name: 2-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]acetate Traditional Name: 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]acetic acid ethyl ester Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NNC1=NC=NC2=C1SC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=S)NNC1=NC=NC2=C1SC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O2S2/c1-2-24-14(23)9-18-17(25)22-21-16-15-12(19-10-20-16)8-13(26-15)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H2,18,22,25)(H,19,20,21)