2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: 2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCC=C

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCC=C

InChI

InChI=1S/C19H20N6O3/c1-3-9-20-18(27)13-6-4-5-7-15(13)23-16(26)8-10-25-12-21-17-14(19(25)28)11-22-24(17)2/h3-7,11-12H,1,8-10H2,2H3,(H,20,27)(H,23,26)