6-nitro-N-(phenylmethyl)-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-nitro-N-(phenylmethyl)-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-nitro-N-(phenylmethyl)-2-(1,2,4-triazol-1-yl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-[6-nitro-2-(1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C15H11N7O2S MolecularWeight: 353.35854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C15H11N7O2S/c23-22(24)12-6-11-13(17-7-10-4-2-1-3-5-10)19-15(20-14(11)25-12)21-9-16-8-18-21/h1-6,8-9H,7H2,(H,17,19,20)