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

Systemtic Name: [2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC(=O)C2=CC=CS2)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCC(=O)C2=CC=CS2)N

InChI

InChI=1S/C18H21N3O6S/c1-3-8-21-16(19)15(17(25)20(2)18(21)26)12(23)10-27-14(24)7-6-11(22)13-5-4-9-28-13/h4-5,9H,3,6-8,10,19H2,1-2H3