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

Systemtic Name: 4-[4-(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(6-allyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(1,3-dimethyl-7-oxo-6-prop-2-enyl-5-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(1,3-dimethyl-7-oxo-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-5-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(6-allyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)piperazino]-4-keto-butyrate Formula: C18H23N6O4- MolecularWeight: 387.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C18H24N6O4/c1-4-7-24-17(28)16-15(12(2)20-21(16)3)19-18(24)23-10-8-22(9-11-23)13(25)5-6-14(26)27/h4H,1,5-11H2,2-3H3,(H,26,27)/p-1