[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate; pyridine

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate; pyridine Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate; pyridine CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester; pyridine IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate; pyridine Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester; pyridine Formula: C25H29N5O7S MolecularWeight: 543.59206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)N.C1=CC=NC=C1

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)N.C1=CC=NC=C1

InChI

InChI=1S/C20H24N4O7S.C5H5N/c1-22-17(21)16(18(26)23(2)20(22)28)15(25)12-31-19(27)13-7-6-8-14(11-13)32(29,30)24-9-4-3-5-10-24;1-2-4-6-5-3-1/h6-8,11H,3-5,9-10,12,21H2,1-2H3;1-5H