1-(2-dimethylaminoethyl)-1-[4-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonylcyclohexyl]-3-methylsulfanyl-urea

Systemtic Name: 1-(2-dimethylaminoethyl)-1-[4-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]carbonylcyclohexyl]-3-methylsulfanyl-urea Openeye Name: 1-(2-dimethylaminoethyl)-1-[4-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexyl]-3-methylsulfanyl-urea CAS Name: 1-(2-dimethylaminoethyl)-1-[4-[[4-[1-[(3-ethoxyphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-oxomethyl]cyclohexyl]-3-(methylthio)urea IUPAC Name: 1-(2-dimethylaminoethyl)-1-[4-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexyl]-3-methylsulfanylurea Traditional Name: 1-(2-dimethylaminoethyl)-1-[4-[4-[1-(3-ethoxybenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclohexyl]-3-(methylthio)urea Formula: C31H45N9O3S MolecularWeight: 623.8125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)C5CCC(CC5)N(CCN(C)C)C(=O)NSC

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)C5CCC(CC5)N(CCN(C)C)C(=O)NSC

InChI

InChI=1S/C31H45N9O3S/c1-5-43-26-8-6-7-23(19-26)21-40-29-27(20-34-40)28(32-22-33-29)37-14-16-38(17-15-37)30(41)24-9-11-25(12-10-24)39(18-13-36(2)3)31(42)35-44-4/h6-8,19-20,22,24-25H,5,9-18,21H2,1-4H3,(H,35,42)