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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-(4-hydroxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H23N7O5 MolecularWeight: 429.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C19H23N7O5/c20-15(28)10-22-19(29)14-2-1-9-25(14)18-16(26(30)31)17(23-11-24-18)21-8-7-12-3-5-13(27)6-4-12/h3-6,11,14,27H,1-2,7-10H2,(H2,20,28)(H,22,29)(H,21,23,24)