(1S,4S,5S)-N-[4-azanyl-2,6-bis(oxidanylidene)-1,3-dipropyl-pyrimidin-5-yl]-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide

Systemtic Name: (1S,4S,5S)-N-[4-azanyl-2,6-bis(oxidanylidene)-1,3-dipropyl-pyrimidin-5-yl]-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Openeye Name: (1S,4S,5S)-N-(4-amino-2,6-dioxo-1,3-dipropyl-pyrimidin-5-yl)-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide CAS Name: (1S,4S,5S)-N-(4-amino-2,6-dioxo-1,3-dipropyl-5-pyrimidinyl)-N-[(2-nitrophenyl)methyl]-5-bicyclo[2.2.1]hept-2-enecarboxamide IUPAC Name: (1S,4S,5S)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Traditional Name: (1S,4S,5S)-N-(4-amino-2,6-diketo-1,3-dipropyl-pyrimidin-5-yl)-N-(2-nitrobenzyl)bicyclo[2.2.1]hept-2-ene-5-carboxamide Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CCC)N(CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3CC4CC3C=C4)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)N(CC2=CC=CC=C2[N+](=O)[O-])C(=O)[C@H]3C[C@@H]4C[C@H]3C=C4)N

InChI

InChI=1S/C25H31N5O5/c1-3-11-27-22(26)21(24(32)28(12-4-2)25(27)33)29(15-18-7-5-6-8-20(18)30(34)35)23(31)19-14-16-9-10-17(19)13-16/h5-10,16-17,19H,3-4,11-15,26H2,1-2H3/t16-,17+,19-/m0/s1