4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide

Systemtic Name: 4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide Openeye Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methyl-2-furyl)methyl]benzamide CAS Name: 4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)-N-[(5-methyl-2-furanyl)methyl]benzamide IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide Traditional Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methyl-2-furyl)methyl]benzamide Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

InChI

InChI=1S/C18H16N6O2/c1-11-2-7-14(26-11)8-20-18(25)12-3-5-13(6-4-12)24-17-15(9-23-24)16(19)21-10-22-17/h2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22)