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

Systemtic Name: 9-but-3-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-but-3-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-but-3-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-but-3-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-but-3-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCC#C)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCC#C)N=CN=C3N

InChI

InChI=1S/C18H19N5O3S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)27-11-8-12(24-2)15(26-4)13(9-11)25-3/h1,8-10H,6-7H2,2-4H3,(H2,19,20,21)