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

Systemtic Name: dimethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanedioate Openeye Name: dimethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanedioate CAS Name: 2-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanedioate Traditional Name: 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]succinic acid dimethyl ester Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S2/c1-27-15(25)9-13(18(26)28-2)22-19(29)24-23-17-16-12(20-10-21-17)8-14(30-16)11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3,(H,20,21,23)(H2,22,24,29)