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

Systemtic Name: 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxamide Openeye Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxamide CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxamide Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxamide Formula: C20H26N6O MolecularWeight: 366.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O/c21-18-17-20(26(12-23-17)15-5-1-2-6-15)25-16(24-18)7-3-4-13-8-10-14(11-9-13)19(22)27/h12-15H,1-2,4-6,8-11H2,(H2,22,27)(H2,21,24,25)