5-nitro-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(1-phenyltetrazol-5-yl)sulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-6-[(1-phenyl-5-tetrazolyl)thio]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-[(1-phenyltetrazol-5-yl)thio]pyrimidin-4-yl]amine Formula: C11H8N8O2S MolecularWeight: 316.29862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C11H8N8O2S/c12-9-8(19(20)21)10(14-6-13-9)22-11-15-16-17-18(11)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)