6-(6-azanyl-5-bromanyl-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine

Systemtic Name: 6-(6-azanyl-5-bromanyl-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine Openeye Name: 6-(6-amino-5-bromo-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine CAS Name: 6-[[6-amino-5-bromo-2-(ethylthio)-4-pyrimidinyl]thio]-7H-purin-2-amine IUPAC Name: 6-(6-amino-5-bromo-2-ethylsulfanylpyrimidin-4-yl)sulfanyl-7H-purin-2-amine Traditional Name: [6-[[6-amino-5-bromo-2-(ethylthio)pyrimidin-4-yl]thio]-7H-purin-2-yl]amine Formula: C11H11BrN8S2 MolecularWeight: 399.29264

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br)N

Isomeric SMILES

CCSC1=NC(=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br)N

InChI

InChI=1S/C11H11BrN8S2/c1-2-21-11-17-6(13)4(12)8(20-11)22-9-5-7(16-3-15-5)18-10(14)19-9/h3H,2H2,1H3,(H2,13,17,20)(H3,14,15,16,18,19)