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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propanamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propanamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-nitropropanamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-3-nitropropanamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-nitro-propionamide Formula: C19H25N7O4 MolecularWeight: 415.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NCCNC(=O)CC[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NCCNC(=O)CC[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O4/c1-14(27)20-8-9-21-16-13-17(22-10-11-23-18(28)7-12-26(29)30)25-19(24-16)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,20,27)(H,23,28)(H2,21,22,24,25)