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

Systemtic Name: 9-(phenylmethyl)-2-phenylsulfanyl-purin-6-amine Openeye Name: 9-benzyl-2-phenylsulfanyl-purin-6-amine CAS Name: 9-(phenylmethyl)-2-(phenylthio)-6-purinamine IUPAC Name: 9-benzyl-2-phenylsulfanylpurin-6-amine Traditional Name: [9-benzyl-2-(phenylthio)purin-6-yl]amine Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SC4=CC=CC=C4

InChI

InChI=1S/C18H15N5S/c19-16-15-17(22-18(21-16)24-14-9-5-2-6-10-14)23(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,21,22)