[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C20H24N4O8S MolecularWeight: 480.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)N

InChI

InChI=1S/C20H24N4O8S/c1-2-6-24-17(21)16(18(26)22-20(24)28)15(25)12-32-19(27)13-4-3-5-14(11-13)33(29,30)23-7-9-31-10-8-23/h3-5,11H,2,6-10,12,21H2,1H3,(H,22,26,28)