2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(3-methylphenoxy)propyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(3-methylphenoxy)propyl]ethanamide Openeye Name: 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(3-methylphenoxy)propyl]acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[3-(3-methylphenoxy)propyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(3-methylphenoxy)propyl]acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(3-methylphenoxy)propyl]acetamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H21N5O3/c1-13-5-3-6-14(9-13)26-8-4-7-19-16(24)11-23-12-20-17-15(18(23)25)10-21-22(17)2/h3,5-6,9-10,12H,4,7-8,11H2,1-2H3,(H,19,24)