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

Systemtic Name: 1,3-dimethyl-5-[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-1,3-dimethyl-5-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1,3-dimethyl-5-[4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 1,3-dimethyl-5-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-1,3-dimethyl-5-[4-[2-(phenylthio)acetyl]piperazino]pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O2S/c1-4-10-28-21(30)20-19(16(2)24-25(20)3)23-22(28)27-13-11-26(12-14-27)18(29)15-31-17-8-6-5-7-9-17/h4-9H,1,10-15H2,2-3H3