N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propanamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propanamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propanamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-nitropropanamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-3-nitropropanamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propionamide Formula: C20H27N7O4 MolecularWeight: 429.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)CC[N+](=O)[O-])C2=CC=CC=C2)NCCNC(=O)C

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)CC[N+](=O)[O-])C2=CC=CC=C2)NCCNC(=O)C

InChI

InChI=1S/C20H27N7O4/c1-14-18(23-11-9-21-15(2)28)25-20(16-6-4-3-5-7-16)26-19(14)24-12-10-22-17(29)8-13-27(30)31/h3-7H,8-13H2,1-2H3,(H,21,28)(H,22,29)(H2,23,24,25,26)