9-pent-4-ynyl-8-(4-pyrrol-1-ylphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-pent-4-ynyl-8-(4-pyrrol-1-ylphenyl)sulfanyl-purin-6-amine Openeye Name: 9-pent-4-ynyl-8-(4-pyrrol-1-ylphenyl)sulfanyl-purin-6-amine CAS Name: 9-pent-4-ynyl-8-[[4-(1-pyrrolyl)phenyl]thio]-6-purinamine IUPAC Name: 9-pent-4-ynyl-8-(4-pyrrol-1-ylphenyl)sulfanylpurin-6-amine Traditional Name: [9-pent-4-ynyl-8-[(4-pyrrol-1-ylphenyl)thio]purin-6-yl]amine Formula: C20H18N6S MolecularWeight: 374.46212

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C#CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C20H18N6S/c1-2-3-4-13-26-19-17(18(21)22-14-23-19)24-20(26)27-16-9-7-15(8-10-16)25-11-5-6-12-25/h1,5-12,14H,3-4,13H2,(H2,21,22,23)