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

Systemtic Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-methoxy-4-propoxy-benzyl)propionamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)C=NN3C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)C=NN3C)OC

InChI

InChI=1S/C20H25N5O4/c1-4-9-29-16-6-5-14(10-17(16)28-3)11-21-18(26)7-8-25-13-22-19-15(20(25)27)12-23-24(19)2/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,21,26)