2-chloranyl-N-(phenylmethyl)-9-(thiolan-3-yl)purin-6-amine

Systemtic Name: 2-chloranyl-N-(phenylmethyl)-9-(thiolan-3-yl)purin-6-amine Openeye Name: N-benzyl-2-chloro-9-tetrahydrothiophen-3-yl-purin-6-amine CAS Name: 2-chloro-N-(phenylmethyl)-9-(3-thiolanyl)-6-purinamine IUPAC Name: N-benzyl-2-chloro-9-(thiolan-3-yl)purin-6-amine Traditional Name: benzyl-(2-chloro-9-tetrahydrothiophen-3-yl-purin-6-yl)amine Formula: C16H16ClN5S MolecularWeight: 345.84974

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CSCC1N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C16H16ClN5S/c17-16-20-14(18-8-11-4-2-1-3-5-11)13-15(21-16)22(10-19-13)12-6-7-23-9-12/h1-5,10,12H,6-9H2,(H,18,20,21)