[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic 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] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3)N

InChI

InChI=1S/C21H25N3O5/c1-2-12-24-17(22)16(18(26)23-20(24)28)15(25)13-29-19(27)21(10-6-7-11-21)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13,22H2,1H3,(H,23,26,28)