(1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-7H-purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-7H-purin-2-yl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-7H-purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C19H27N5O MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1NC=N2)C#CC3(CCCC(C3)C)O

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1NC=N2)C#C[C@@]3(CCC[C@H](C3)C)O

InChI

InChI=1S/C19H27N5O/c1-4-14(5-2)22-18-16-17(21-12-20-16)23-15(24-18)8-10-19(25)9-6-7-13(3)11-19/h12-14,25H,4-7,9,11H2,1-3H3,(H2,20,21,22,23,24)/t13-,19-/m1/s1