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

Systemtic Name: N-[4-methyl-3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-methyl-3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[4-methyl-3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-4-methyl-phenyl]cyclopropanecarboxamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C20H22N6O3/c1-12-3-6-14(23-19(28)13-4-5-13)9-16(12)24-17(27)7-8-26-11-21-18-15(20(26)29)10-22-25(18)2/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,23,28)(H,24,27)