N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C18H26N8O2S MolecularWeight: 418.51644

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CN(N=C3OC)C)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CN(N=C3OC)C)C(=N1)NC(C)C

InChI

InChI=1S/C18H26N8O2S/c1-6-29-18-22-14(21-11(2)3)12-9-20-26(15(12)23-18)8-7-19-16(27)13-10-25(4)24-17(13)28-5/h9-11H,6-8H2,1-5H3,(H,19,27)(H,21,22,23)