N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-veratryl-propionamide Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C18H21N5O3S/c1-11(27-18-13-9-22-23(2)16(13)20-10-21-18)17(24)19-8-12-5-6-14(25-3)15(7-12)26-4/h5-7,9-11H,8H2,1-4H3,(H,19,24)