2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-1-morpholino-ethanone Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C18H19N5O3S/c1-25-14-4-2-13(3-5-14)23-17-15(10-21-23)18(20-12-19-17)27-11-16(24)22-6-8-26-9-7-22/h2-5,10,12H,6-9,11H2,1H3