[5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-methyl-carbamic acid

Systemtic Name: [5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-methyl-carbamic acid Openeye Name: [5-[1-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-methyl-carbamic acid CAS Name: [5-[1-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]ethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-methylcarbamic acid IUPAC Name: [5-[1-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-methylcarbamic acid Traditional Name: [5-[1-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]ethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-methyl-carbamic acid Formula: C16H18N6O2S2 MolecularWeight: 390.48312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)N(C)C(=O)O)SC3=NC(=CC(=N3)SC)N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)N(C)C(=O)O)SC3=NC(=CC(=N3)SC)N

InChI

InChI=1S/C16H18N6O2S2/c1-8(26-15-20-13(17)5-14(21-15)25-3)10-4-9-11(6-18-10)19-7-12(9)22(2)16(23)24/h4-8,19H,1-3H3,(H,23,24)(H2,17,20,21)