N-[3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]phenyl]-2-furamide Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C19H18N6O4/c26-18(16-5-2-8-29-16)23-14-4-1-3-12(9-14)10-20-19-21-11-15(25(27)28)17(24-19)22-13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,23,26)(H2,20,21,22,24)