methyl 4-[[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)carbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)carbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)carbamoylamino]methyl]benzoate CAS Name: 4-[[[[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)amino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoylamino]methyl]benzoate Traditional Name: 4-[[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)carbamoylamino]methyl]benzoic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)NCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)NCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C18H18N4O4S/c1-10-11(2)27-15-14(10)16(23)22(9-20-15)21-18(25)19-8-12-4-6-13(7-5-12)17(24)26-3/h4-7,9H,8H2,1-3H3,(H2,19,21,25)