8-bromanyl-9-(phenylmethyl)-2-phenylsulfanyl-purin-6-amine

Systemtic Name: 8-bromanyl-9-(phenylmethyl)-2-phenylsulfanyl-purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-phenylsulfanyl-purin-6-amine CAS Name: 8-bromo-9-(phenylmethyl)-2-(phenylthio)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-phenylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(phenylthio)purin-6-yl]amine Formula: C18H14BrN5S MolecularWeight: 412.30626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C18H14BrN5S/c19-17-21-14-15(20)22-18(25-13-9-5-2-6-10-13)23-16(14)24(17)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,22,23)