N-(3,4-dibutoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,4-dibutoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-dibutoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-dibutoxyphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(3,4-dibutoxyphenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-dibutoxyphenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4)OCCCC

InChI

InChI=1S/C27H31N5O3S/c1-3-5-12-34-23-11-10-21(15-24(23)35-13-6-4-2)31-26(33)20-9-7-8-19(14-20)17-36-27-22-16-30-32-25(22)28-18-29-27/h7-11,14-16,18H,3-6,12-13,17H2,1-2H3,(H,31,33)(H,28,29,30,32)