N'-[3-[2,6-bis(chloranyl)-4-ethynyl-phenyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethane-1,2-diamine

Systemtic Name: N'-[3-[2,6-bis(chloranyl)-4-ethynyl-phenyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethane-1,2-diamine Openeye Name: N'-[3-(2,6-dichloro-4-ethynyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-N-(1-pyrimidin-2-yl-4-piperidyl)ethane-1,2-diamine CAS Name: N'-[3-(2,6-dichloro-4-ethynylphenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2-pyrimidinyl)-4-piperidinyl]ethane-1,2-diamine IUPAC Name: N'-[3-(2,6-dichloro-4-ethynylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethane-1,2-diamine Traditional Name: [3-(2,6-dichloro-4-ethynyl-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-[2-[[1-(2-pyrimidyl)-4-piperidyl]amino]ethyl]amine Formula: C27H28Cl2N8 MolecularWeight: 535.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)NCCNC3CCN(CC3)C4=NC=CC=N4)C)C5=C(C=C(C=C5Cl)C#C)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)NCCNC3CCN(CC3)C4=NC=CC=N4)C)C5=C(C=C(C=C5Cl)C#C)Cl

InChI

InChI=1S/C27H28Cl2N8/c1-4-19-15-21(28)25(22(29)16-19)24-18(3)35-37-23(14-17(2)34-26(24)37)31-11-10-30-20-6-12-36(13-7-20)27-32-8-5-9-33-27/h1,5,8-9,14-16,20,30-31H,6-7,10-13H2,2-3H3