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

Systemtic Name: 2-azanylethyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate Openeye Name: 2-aminoethyl 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylate CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxylic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylate Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid 2-aminoethyl ester Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)OCCN

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)OCCN

InChI

InChI=1S/C22H30N6O2/c23-12-13-30-22(29)16-10-8-15(9-11-16)4-3-7-18-26-20(24)19-21(27-18)28(14-25-19)17-5-1-2-6-17/h14-17H,1-2,4-6,8-13,23H2,(H2,24,26,27)