N-[4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]-2-nitro-phenyl]ethanamide Openeye Name: N-[4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]-2-nitro-phenyl]acetamide CAS Name: N-[4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]-2-nitrophenyl]acetamide IUPAC Name: N-[4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]-2-nitrophenyl]acetamide Traditional Name: N-[4-[(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]-2-nitro-phenyl]acetamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N6O4/c1-4-5-13-16-17(23(3)22-13)18(26)21-15(20-16)9-11-6-7-12(19-10(2)25)14(8-11)24(27)28/h6-8H,4-5,9H2,1-3H3,(H,19,25)(H,20,21,26)