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

Systemtic Name: 8-(3,5-dimethylphenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(3,5-dimethylphenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(3,5-dimethylphenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(3,5-dimethylphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(3,5-dimethylphenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C18H19N5S MolecularWeight: 337.44196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=NC3=C(N2CCCC#C)N=CN=C3N)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=NC3=C(N2CCCC#C)N=CN=C3N)C

InChI

InChI=1S/C18H19N5S/c1-4-5-6-7-23-17-15(16(19)20-11-21-17)22-18(23)24-14-9-12(2)8-13(3)10-14/h1,8-11H,5-7H2,2-3H3,(H2,19,20,21)