8-(4-pyrrol-1-ylphenyl)sulfanyl-7H-purin-6-amine

Systemtic Name: 8-(4-pyrrol-1-ylphenyl)sulfanyl-7H-purin-6-amine Openeye Name: 8-(4-pyrrol-1-ylphenyl)sulfanyl-7H-purin-6-amine CAS Name: 8-[[4-(1-pyrrolyl)phenyl]thio]-7H-purin-6-amine IUPAC Name: 8-(4-pyrrol-1-ylphenyl)sulfanyl-7H-purin-6-amine Traditional Name: [8-[(4-pyrrol-1-ylphenyl)thio]-7H-purin-6-yl]amine Formula: C15H12N6S MolecularWeight: 308.36098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)SC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)SC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C15H12N6S/c16-13-12-14(18-9-17-13)20-15(19-12)22-11-5-3-10(4-6-11)21-7-1-2-8-21/h1-9H,(H3,16,17,18,19,20)