tert-butyl 3-azanyl-1-ethyl-5-[3-(4-nitrophenyl)propylamino]-2,6-bis(oxidanylidene)pyrimidine-4-carboxylate

Systemtic Name: tert-butyl 3-azanyl-1-ethyl-5-[3-(4-nitrophenyl)propylamino]-2,6-bis(oxidanylidene)pyrimidine-4-carboxylate Openeye Name: tert-butyl 3-amino-1-ethyl-5-[3-(4-nitrophenyl)propylamino]-2,6-dioxo-pyrimidine-4-carboxylate CAS Name: 3-amino-1-ethyl-5-[3-(4-nitrophenyl)propylamino]-2,6-dioxo-4-pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-1-ethyl-5-[3-(4-nitrophenyl)propylamino]-2,6-dioxopyrimidine-4-carboxylate Traditional Name: 3-amino-1-ethyl-2,6-diketo-5-[3-(4-nitrophenyl)propylamino]pyrimidine-4-carboxylic acid tert-butyl ester Formula: C20H27N5O6 MolecularWeight: 433.45828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)N)C(=O)OC(C)(C)C)NCCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)N)C(=O)OC(C)(C)C)NCCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O6/c1-5-23-17(26)15(16(24(21)19(23)28)18(27)31-20(2,3)4)22-12-6-7-13-8-10-14(11-9-13)25(29)30/h8-11,22H,5-7,12,21H2,1-4H3