N-[1-(4-butan-2-ylphenyl)-2-methyl-propyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)-2-methyl-propyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-methyl-1-(4-sec-butylphenyl)propyl]propanamide CAS Name: N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-methyl-1-(4-sec-butylphenyl)propyl]propionamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C23H31N5O2/c1-6-16(4)17-7-9-18(10-8-17)21(15(2)3)26-20(29)11-12-28-14-24-22-19(23(28)30)13-25-27(22)5/h7-10,13-16,21H,6,11-12H2,1-5H3,(H,26,29)