3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H22N6O4S/c1-23-18-16(12-21-23)19(27)24(13-20-18)11-8-17(26)22-14-4-6-15(7-5-14)30(28,29)25-9-2-3-10-25/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,26)