methyl 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylate CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid methyl ester Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

COC(=O)C1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C19H21N5O2/c1-3-11-24-12-21-16-17(20)22-15(23-18(16)24)6-4-5-13-7-9-14(10-8-13)19(25)26-2/h1,12-14H,5,7-11H2,2H3,(H2,20,22,23)