N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(indan-2-ylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2,3-dihydro-1H-inden-2-ylamino)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(indan-2-ylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NC3CC4=CC=CC=C4C3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NC3CC4=CC=CC=C4C3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C20H23N7O4/c21-16(28)10-22-20(29)15-6-3-7-26(15)19-17(27(30)31)18(23-11-24-19)25-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,11,14-15H,3,6-10H2,(H2,21,28)(H,22,29)(H,23,24,25)