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

Systemtic Name: N-(3,4-dipropoxyphenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3,4-dipropoxyphenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3,4-dipropoxyphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3,4-dipropoxyphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3,4-dipropoxyphenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H27N5O4 MolecularWeight: 413.47018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C)OCCC

InChI

InChI=1S/C21H27N5O4/c1-4-10-29-17-7-6-15(12-18(17)30-11-5-2)24-19(27)8-9-26-14-22-20-16(21(26)28)13-23-25(20)3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,24,27)