5-[3,3-dimethylbutyl(oxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[3,3-dimethylbutyl(oxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[3,3-dimethylbutyl(tetrahydropyran-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3,3-dimethylbutyl(2-oxanylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[3,3-dimethylbutyl(oxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[3,3-dimethylbutyl(tetrahydropyran-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H35N5O2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)N(CCC(C)(C)C)CC3CCCCO3)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)N(CCC(C)(C)C)CC3CCCCO3)C

InChI

InChI=1S/C21H35N5O2/c1-6-9-16-17-18(25(5)24-16)19(27)23-20(22-17)26(12-11-21(2,3)4)14-15-10-7-8-13-28-15/h15H,6-14H2,1-5H3,(H,22,23,27)