3-[4-(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(6-allyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(1,3-dimethyl-7-oxo-6-prop-2-enyl-5-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1,3-dimethyl-7-oxo-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-5-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(6-allyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)piperazine-1-carbonyl]benzonitrile Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C22H23N7O2/c1-4-8-29-21(31)19-18(15(2)25-26(19)3)24-22(29)28-11-9-27(10-12-28)20(30)17-7-5-6-16(13-17)14-23/h4-7,13H,1,8-12H2,2-3H3