[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(6-amino-1-benzyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C22H23N3O5S/c1-24-21(28)19(20(23)25(22(24)29)13-15-7-3-2-4-8-15)17(26)14-30-18(27)11-5-9-16-10-6-12-31-16/h2-4,6-8,10,12H,5,9,11,13-14,23H2,1H3