ethyl 3-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-propyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-propyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-propyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-propyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C24H25N5O7 MolecularWeight: 495.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H25N5O7/c1-3-10-27(22(31)16-11-17(23(32)36-4-2)13-18(12-16)29(34)35)19-20(25)28(24(33)26-21(19)30)14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14,25H2,1-2H3,(H,26,30,33)