9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCCC#C)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCCC#C)N=CN=C3N

InChI

InChI=1S/C19H21N5O3S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)28-12-9-13(25-2)16(27-4)14(10-12)26-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)