6-[[3,5-bis(methylamino)-4-oxidanyl-phenyl]methyl]-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[[3,5-bis(methylamino)-4-oxidanyl-phenyl]methyl]-1-cyclopentyl-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-3-ethyl-6-[[4-hydroxy-3,5-bis(methylamino)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-3-ethyl-6-[[4-hydroxy-3,5-bis(methylamino)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-3-ethyl-6-[[4-hydroxy-3,5-bis(methylamino)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-3-ethyl-6-[4-hydroxy-3,5-bis(methylamino)benzyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC(=C(C(=C3)NC)O)NC)N(N1)C4CCCC4

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC(=C(C(=C3)NC)O)NC)N(N1)C4CCCC4

InChI

InChI=1S/C21H28N6O2/c1-4-14-18-20(27(26-14)13-7-5-6-8-13)24-17(25-21(18)29)11-12-9-15(22-2)19(28)16(10-12)23-3/h9-10,13,22-23,26,28H,4-8,11H2,1-3H3