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

Systemtic Name: 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxamide Openeye Name: 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxamide CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxamide Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxamide Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCC(CC3)C(=O)N

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H20N6O/c1-2-10-24-11-21-15-16(19)22-14(23-18(15)24)5-3-4-12-6-8-13(9-7-12)17(20)25/h1,11-13H,4,6-10H2,(H2,20,25)(H2,19,22,23)