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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-furylmethyl)butanamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-furanylmethyl)butanamide IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-furfuryl)butyramide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SC(CC)C(=O)NCC4=CC=CO4)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C3C(=NN=C3N=C2SC(CC)C(=O)NCC4=CC=CO4)C)N

InChI

InChI=1S/C23H26N6O2S/c1-4-15-8-10-16(11-9-15)29-20(24)19-14(3)27-28-21(19)26-23(29)32-18(5-2)22(30)25-13-17-7-6-12-31-17/h6-12,18H,4-5,13,24H2,1-3H3,(H,25,30)