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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NNC1=NC=NC2=C1SC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCNC(=S)NNC1=NC=NC2=C1SC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O2S2/c1-24-14(23)7-8-18-17(25)22-21-16-15-12(19-10-20-16)9-13(26-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,22,25)(H,19,20,21)