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

Systemtic Name: 2-[4-azanyl-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Openeye Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide CAS Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide IUPAC Name: 2-[4-amino-5-(4-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Traditional Name: 2-[[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-methoxyethyl)butyramide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2S/c1-5-14-7-9-15(10-8-14)27-18(22)17-13(3)25-26-19(17)24-21(27)30-16(6-2)20(28)23-11-12-29-4/h7-10,16H,5-6,11-12,22H2,1-4H3,(H,23,28)