(1S,3R)-1-[2-[6-azanyl-9-(cyclopropylmethyl)purin-2-yl]ethynyl]-3-methyl-cyclohexan-1-ol

Systemtic Name: (1S,3R)-1-[2-[6-azanyl-9-(cyclopropylmethyl)purin-2-yl]ethynyl]-3-methyl-cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[6-amino-9-(cyclopropylmethyl)purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-1-[2-[6-amino-9-(cyclopropylmethyl)-2-purinyl]ethynyl]-3-methyl-1-cyclohexanol IUPAC Name: (1S,3R)-1-[2-[6-amino-9-(cyclopropylmethyl)purin-2-yl]ethynyl]-3-methylcyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[6-amino-9-(cyclopropylmethyl)purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC4CC4)O

Isomeric SMILES

C[C@@H]1CCC[C@](C1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC4CC4)O

InChI

InChI=1S/C18H23N5O/c1-12-3-2-7-18(24,9-12)8-6-14-21-16(19)15-17(22-14)23(11-20-15)10-13-4-5-13/h11-13,24H,2-5,7,9-10H2,1H3,(H2,19,21,22)/t12-,18-/m1/s1