3-[6-aminocarbonyl-5-methyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[6-aminocarbonyl-5-methyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-(2-benzyl-6-carbamoyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-[6-carbamoyl-5-methyl-4-oxo-2-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-(2-benzyl-6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(2-benzyl-6-carbamoyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)propionate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CCC(=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CCC(=O)[O-])C(=O)N

InChI

InChI=1S/C18H17N3O4S/c1-10-14-17(26-15(10)16(19)24)20-12(9-11-5-3-2-4-6-11)21(18(14)25)8-7-13(22)23/h2-6H,7-9H2,1H3,(H2,19,24)(H,22,23)/p-1