N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-cyanoethyl(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-cyanoethyl(furan-2-ylmethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-cyanoethyl(2-furylmethyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2-cyanoethyl(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-cyanoethyl(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-cyanoethyl(2-furfuryl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H22N8O5 MolecularWeight: 442.42858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C19H22N8O5/c20-6-3-7-25(11-13-4-2-9-32-13)17-16(27(30)31)18(24-12-23-17)26-8-1-5-14(26)19(29)22-10-15(21)28/h2,4,9,12,14H,1,3,5,7-8,10-11H2,(H2,21,28)(H,22,29)