(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C19H20N4O4S/c1-11(2)21-19(26)20-9-12-3-5-13(6-4-12)18(25)27-10-15-22-14-7-8-28-16(14)17(24)23-15/h3-8,11H,9-10H2,1-2H3,(H2,20,21,26)(H,22,23,24)