3-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)N(N=C2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)N(N=C2C)C

InChI

InChI=1S/C21H23N7O/c1-4-17-23-18-14(2)25-26(3)19(18)20(24-17)27-8-10-28(11-9-27)21(29)16-7-5-6-15(12-16)13-22/h5-7,12H,4,8-11H2,1-3H3