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azanyl-[9-cyclopentyl-6-[(2-methoxyphenyl)amino]purin-2-yl]methanethiol

azanyl-[9-cyclopentyl-6-[(2-methoxyphenyl)amino]purin-2-yl]methanethiol

Systemtic Name:azanyl-[9-cyclopentyl-6-[(2-methoxyphenyl)amino]purin-2-yl]methanethiol
Openeye Name:amino-[9-cyclopentyl-6-(2-methoxyanilino)purin-2-yl]methanethiol
CAS Name:amino-[9-cyclopentyl-6-(2-methoxyanilino)-2-purinyl]methanethiol
IUPAC Name:amino-[9-cyclopentyl-6-(2-methoxyanilino)purin-2-yl]methanethiol
Traditional Name:amino-[9-cyclopentyl-6-(o-anisidino)purin-2-yl]methanethiol
Formula: C18H22N6OS
MolecularWeight: 370.47188
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC3=C2N=CN3C4CCCC4)C(N)S


Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC3=C2N=CN3C4CCCC4)C(N)S


InChI

InChI=1S/C18H22N6OS/c1-25-13-9-5-4-8-12(13)21-16-14-18(23-17(22-16)15(19)26)24(10-20-14)11-6-2-3-7-11/h4-5,8-11,15,26H,2-3,6-7,19H2,1H3,(H,21,22,23)


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