2-[4-azanyl-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(4-ethoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(4-amino-3-methyl-5-p-phenetyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CO4)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CO4)C)N

InChI

InChI=1S/C21H22N6O3S/c1-3-29-15-8-6-14(7-9-15)27-19(22)18-13(2)25-26-20(18)24-21(27)31-12-17(28)23-11-16-5-4-10-30-16/h4-10H,3,11-12,22H2,1-2H3,(H,23,28)