3-[4-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Formula: C19H19N7O MolecularWeight: 361.40046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN=C2N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=NN(C2=C1N=CN=C2N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C19H19N7O/c1-13-16-17(24(2)23-13)18(22-12-21-16)25-6-8-26(9-7-25)19(27)15-5-3-4-14(10-15)11-20/h3-5,10,12H,6-9H2,1-2H3