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

Systemtic Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-butyl-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-butyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C18H23N5O3S/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/h8-10H,5-7H2,1-4H3,(H2,19,20,21)