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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[[2-(2-naphthylamino)-2-oxo-ethyl]amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[[2-(2-naphthalenylamino)-2-oxoethyl]amino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[[2-keto-2-(2-naphthylamino)ethyl]amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H24N8O5 MolecularWeight: 492.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C23H24N8O5/c24-18(32)11-26-23(34)17-6-3-9-30(17)22-20(31(35)36)21(27-13-28-22)25-12-19(33)29-16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12H2,(H2,24,32)(H,26,34)(H,29,33)(H,25,27,28)