6-[(4-aminophenyl)methyl]-3-methyl-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-aminophenyl)methyl]-3-methyl-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-aminophenyl)methyl]-1-(1-ethylheptyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-aminophenyl)methyl]-3-methyl-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-aminophenyl)methyl]-3-methyl-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(4-aminobenzyl)-1-(1-ethylheptyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)N1C2=NC(=NC(=O)C2=C(N1)C)CC3=CC=C(C=C3)N

Isomeric SMILES

CCCCCCC(CC)N1C2=NC(=NC(=O)C2=C(N1)C)CC3=CC=C(C=C3)N

InChI

InChI=1S/C22H31N5O/c1-4-6-7-8-9-18(5-2)27-21-20(15(3)26-27)22(28)25-19(24-21)14-16-10-12-17(23)13-11-16/h10-13,18,26H,4-9,14,23H2,1-3H3