8-(4-azanylcyclohexyl)-9-cyclopentyl-purine-2,6-diamine; 2-methylthiophene

Systemtic Name: 8-(4-azanylcyclohexyl)-9-cyclopentyl-purine-2,6-diamine; 2-methylthiophene Openeye Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-purine-2,6-diamine; 2-methylthiophene CAS Name: 8-(4-aminocyclohexyl)-9-cyclopentylpurine-2,6-diamine; 2-methylthiophene IUPAC Name: 8-(4-aminocyclohexyl)-9-cyclopentylpurine-2,6-diamine; 2-methylthiophene Traditional Name: [2-amino-8-(4-aminocyclohexyl)-9-cyclopentyl-purin-6-yl]amine; 2-methylthiophene Formula: C21H31N7S MolecularWeight: 413.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CS1.C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)N)C4CCC(CC4)N

Isomeric SMILES

CC1=CC=CS1.C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)N)C4CCC(CC4)N

InChI

InChI=1S/C16H25N7.C5H6S/c17-10-7-5-9(6-8-10)14-20-12-13(18)21-16(19)22-15(12)23(14)11-3-1-2-4-11;1-5-3-2-4-6-5/h9-11H,1-8,17H2,(H4,18,19,21,22);2-4H,1H3