3-tert-butyl-5-[cyclohexylmethyl-[(2-morpholin-4-ylpyridin-4-yl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-tert-butyl-5-[cyclohexylmethyl-[(2-morpholin-4-ylpyridin-4-yl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[cyclohexylmethyl-[(2-morpholino-4-pyridyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[[2-(4-morpholinyl)-4-pyridinyl]methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[cyclohexylmethyl-[(2-morpholin-4-ylpyridin-4-yl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[cyclohexylmethyl-[(2-morpholino-4-pyridyl)methyl]amino]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H39N7O2 MolecularWeight: 493.64426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=NC=C4)N5CCOCC5)C

Isomeric SMILES

CC(C)(C)C1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=NC=C4)N5CCOCC5)C

InChI

InChI=1S/C27H39N7O2/c1-27(2,3)24-22-23(32(4)31-24)25(35)30-26(29-22)34(17-19-8-6-5-7-9-19)18-20-10-11-28-21(16-20)33-12-14-36-15-13-33/h10-11,16,19H,5-9,12-15,17-18H2,1-4H3,(H,29,30,35)