N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C16H14ClN5O4 MolecularWeight: 375.76646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C16H14ClN5O4/c1-21-15-9(6-19-21)16(24)22(7-18-15)3-2-14(23)20-11-5-13-12(4-10(11)17)25-8-26-13/h4-7H,2-3,8H2,1H3,(H,20,23)