5-azanyl-3-[3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C20H21N9O2 MolecularWeight: 419.43984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C20H21N9O2/c21-11-15-16(27-28(18(15)22)14-5-2-1-3-6-14)7-4-10-23-20-24-12-17(29(30)31)19(26-20)25-13-8-9-13/h1-3,5-6,12-13H,4,7-10,22H2,(H2,23,24,25,26)