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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C18H21N5O5 MolecularWeight: 387.38984

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-22-17-12(9-20-22)18(25)23(10-19-17)6-5-15(24)21-11-7-13(26-2)16(28-4)14(8-11)27-3/h7-10H,5-6H2,1-4H3,(H,21,24)