3-(6-methylpurin-9-yl)-N-[1-[2-(methylsulfonylsulfanylmethyl)thiophen-3-yl]ethenyl]propan-1-amine

Systemtic Name: 3-(6-methylpurin-9-yl)-N-[1-[2-(methylsulfonylsulfanylmethyl)thiophen-3-yl]ethenyl]propan-1-amine Openeye Name: 3-(6-methylpurin-9-yl)-N-[1-[2-(methylsulfonylsulfanylmethyl)-3-thienyl]vinyl]propan-1-amine CAS Name: 3-(6-methyl-9-purinyl)-N-[1-[2-[(methylsulfonylthio)methyl]-3-thiophenyl]ethenyl]-1-propanamine IUPAC Name: 3-(6-methylpurin-9-yl)-N-[1-[2-(methylsulfonylsulfanylmethyl)thiophen-3-yl]ethenyl]propan-1-amine Traditional Name: 1-[2-[(mesylthio)methyl]-3-thienyl]vinyl-[3-(6-methylpurin-9-yl)propyl]amine Formula: C17H21N5O2S3 MolecularWeight: 423.57594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C=N2)CCCNC(=C)C3=C(SC=C3)CSS(=O)(=O)C

Isomeric SMILES

CC1=C2C(=NC=N1)N(C=N2)CCCNC(=C)C3=C(SC=C3)CSS(=O)(=O)C

InChI

InChI=1S/C17H21N5O2S3/c1-12(14-5-8-25-15(14)9-26-27(3,23)24)18-6-4-7-22-11-21-16-13(2)19-10-20-17(16)22/h5,8,10-11,18H,1,4,6-7,9H2,2-3H3