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

Systemtic Name: ethyl 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylic acid ethyl ester Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C19H22N6O2/c1-3-10-25-13-21-16-17(20)22-15(23-18(16)25)7-5-6-14-8-11-24(12-9-14)19(26)27-4-2/h1,13-14H,4,6,8-12H2,2H3,(H2,20,22,23)