6-[(3S,4S)-4-ethyl-1-quinoxalin-2-ylcarbonyl-pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(3S,4S)-4-ethyl-1-quinoxalin-2-ylcarbonyl-pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3S,4S)-4-ethyl-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-1-tetrahydropyran-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3S,4S)-4-ethyl-1-[oxo(2-quinoxalinyl)methyl]-3-pyrrolidinyl]-1-(4-oxanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3S,4S)-4-ethyl-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3S,4S)-4-ethyl-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-1-tetrahydropyran-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC1C2=NC(=O)C3=CNN(C3=N2)C4CCOCC4)C(=O)C5=NC6=CC=CC=C6N=C5

Isomeric SMILES

CC[C@@H]1CN(C[C@H]1C2=NC(=O)C3=CNN(C3=N2)C4CCOCC4)C(=O)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C25H27N7O3/c1-2-15-13-31(25(34)21-12-26-19-5-3-4-6-20(19)28-21)14-18(15)22-29-23-17(24(33)30-22)11-27-32(23)16-7-9-35-10-8-16/h3-6,11-12,15-16,18,27H,2,7-10,13-14H2,1H3/t15-,18-/m1/s1