2-[2-(2,5-dimethylpyrrol-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[2-(2,5-dimethyl-1-pyrrolyl)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-(2,5-dimethylpyrrol-1-yl)ethylthio]pyrimidin-4-yl]amine Formula: C12H17N5S MolecularWeight: 263.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=CC=C(N1CCSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C12H17N5S/c1-8-3-4-9(2)17(8)5-6-18-12-15-10(13)7-11(14)16-12/h3-4,7H,5-6H2,1-2H3,(H4,13,14,15,16)