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

Systemtic Name: 2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide CAS Name: 2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3/c1-3-8-19-17(26)12-6-4-5-7-14(12)22-15(25)10-24-11-20-16-13(18(24)27)9-21-23(16)2/h3-7,9,11H,1,8,10H2,2H3,(H,19,26)(H,22,25)