3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-methyl-5-propionamido-phenyl)propionamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C19H22N6O3/c1-4-16(26)22-13-6-5-12(2)15(9-13)23-17(27)7-8-25-11-20-18-14(19(25)28)10-21-24(18)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,26)(H,23,27)