N-[6-methyl-9-[4-[[(2-nitrophenyl)sulfanylamino]-oxidanyl-methyl]cyclopent-2-en-1-yl]purin-2-yl]methanamide

Systemtic Name: N-[6-methyl-9-[4-[[(2-nitrophenyl)sulfanylamino]-oxidanyl-methyl]cyclopent-2-en-1-yl]purin-2-yl]methanamide Openeye Name: N-[9-[4-[hydroxy-[(2-nitrophenyl)sulfanylamino]methyl]cyclopent-2-en-1-yl]-6-methyl-purin-2-yl]formamide CAS Name: N-[9-[4-[hydroxy-[[(2-nitrophenyl)thio]amino]methyl]-1-cyclopent-2-enyl]-6-methyl-2-purinyl]formamide IUPAC Name: N-[9-[4-[hydroxy-[(2-nitrophenyl)sulfanylamino]methyl]cyclopent-2-en-1-yl]-6-methylpurin-2-yl]formamide Traditional Name: N-[9-[4-[hydroxy-[[(2-nitrophenyl)thio]amino]methyl]cyclopent-2-en-1-yl]-6-methyl-purin-2-yl]formamide Formula: C19H19N7O4S MolecularWeight: 441.46366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NC=O)N(C=N2)C3CC(C=C3)C(NSC4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

CC1=C2C(=NC(=N1)NC=O)N(C=N2)C3CC(C=C3)C(NSC4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C19H19N7O4S/c1-11-16-17(23-19(22-11)21-10-27)25(9-20-16)13-7-6-12(8-13)18(28)24-31-15-5-3-2-4-14(15)26(29)30/h2-7,9-10,12-13,18,24,28H,8H2,1H3,(H,21,22,23,27)