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

Systemtic Name: 3-tert-butyl-5-[cyclohexylmethyl-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-tert-butyl-5-[cyclohexylmethyl-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-tert-butyl-5-[cyclohexylmethyl-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-tert-butyl-5-[cyclohexylmethyl-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-tert-butyl-5-[cyclohexylmethyl-[3-(1,2,4-triazol-1-yl)benzyl]amino]-1-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H36N8O MolecularWeight: 488.62774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C(C)(C)C)NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=CC=C4)N5C=NC=N5

Isomeric SMILES

CCN1C2=C(C(=N1)C(C)(C)C)NC(=NC2=O)N(CC3CCCCC3)CC4=CC(=CC=C4)N5C=NC=N5

InChI

InChI=1S/C27H36N8O/c1-5-34-23-22(24(32-34)27(2,3)4)30-26(31-25(23)36)33(15-19-10-7-6-8-11-19)16-20-12-9-13-21(14-20)35-18-28-17-29-35/h9,12-14,17-19H,5-8,10-11,15-16H2,1-4H3,(H,30,31,36)