N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(2-ethoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(4-o-phenetylpiperazino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H30N8O5 MolecularWeight: 498.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCCC4C(=O)NCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCCC4C(=O)NCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H30N8O5/c1-2-36-18-8-4-3-6-16(18)28-10-12-29(13-11-28)21-20(31(34)35)22(27-15-26-21)30-9-5-7-17(30)23(33)25-14-19(24)32/h3-4,6,8,15,17H,2,5,7,9-14H2,1H3,(H2,24,32)(H,25,33)