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

Systemtic Name: [2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CCCC3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3CCCC3

InChI

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