8-(3-methoxyphenyl)sulfonyl-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-(3-methoxyphenyl)sulfonyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(3-methoxyphenyl)sulfonyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-(3-methoxyphenyl)sulfonyl-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(3-methoxyphenyl)sulfonyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-(3-methoxyphenyl)sulfonyl-9-pent-4-ynyl-purin-6-yl]amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)C2=NC3=C(N2CCCC#C)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)C2=NC3=C(N2CCCC#C)N=CN=C3N

InChI

InChI=1S/C17H17N5O3S/c1-3-4-5-9-22-16-14(15(18)19-11-20-16)21-17(22)26(23,24)13-8-6-7-12(10-13)25-2/h1,6-8,10-11H,4-5,9H2,2H3,(H2,18,19,20)