methyl 4-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]butanoate Traditional Name: 4-[(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCCCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCCCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S2/c1-12-15(13-7-4-3-5-8-13)16-17(28-12)21-11-23(18(16)25)22-19(27)20-10-6-9-14(24)26-2/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,20,22,27)