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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylbutanamide IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylbutanamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-butyramide Formula: C22H30N6OS MolecularWeight: 426.5782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6OS/c1-6-15-10-12-16(13-11-15)28-19(23)18-14(5)25-26-20(18)24-22(28)30-17(7-2)21(29)27(8-3)9-4/h10-13,17H,6-9,23H2,1-5H3