N-[(4-butylphenyl)-thiophen-2-yl-methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[(4-butylphenyl)-thiophen-2-yl-methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C24H27N5O2S/c1-3-4-6-17-8-10-18(11-9-17)22(20-7-5-14-32-20)27-21(30)12-13-29-16-25-23-19(24(29)31)15-26-28(23)2/h5,7-11,14-16,22H,3-4,6,12-13H2,1-2H3,(H,27,30)