O3-tert-butyl O5-ethyl 2-azanyl-4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-ethyl 2-azanyl-4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 2-amino-4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2-amino-4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester IUPAC Name: 3-O-tert-butyl 5-O-ethyl 2-amino-4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 2-amino-4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C23H32N4O8 MolecularWeight: 492.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1CCC(OC)OC)C(=O)OC(C)(C)C)N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1CCC(OC)OC)C(=O)OC(C)(C)C)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O8/c1-7-34-20(28)18-16(12-13-17(32-5)33-6)26(22(29)35-23(2,3)4)21(24)25-19(18)14-8-10-15(11-9-14)27(30)31/h8-11,16-17H,7,12-13H2,1-6H3,(H2,24,25)