5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-3-tert-butyl-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-3-tert-butyl-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-3-tert-butyl-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(1-azepanylsulfonyl)-2-ethoxyphenyl]-3-tert-butyl-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]-3-tert-butyl-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-3-tert-butyl-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C24H33N5O4S MolecularWeight: 487.61492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=NC(=O)C4=C(N3)C(=NN4C)C(C)(C)C

InChI

InChI=1S/C24H33N5O4S/c1-6-33-18-12-11-16(34(31,32)29-13-9-7-8-10-14-29)15-17(18)22-25-19-20(23(30)26-22)28(5)27-21(19)24(2,3)4/h11-12,15H,6-10,13-14H2,1-5H3,(H,25,26,30)