6-nitro-2-(1,2-oxazol-5-yl)-N-(phenylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-nitro-2-(1,2-oxazol-5-yl)-N-(phenylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-benzyl-2-isoxazol-5-yl-6-nitro-thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(5-isoxazolyl)-6-nitro-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-benzyl-6-nitro-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: benzyl-(2-isoxazol-5-yl-6-nitro-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C4=CC=NO4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C=C(SC3=NC(=N2)C4=CC=NO4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S/c22-21(23)13-8-11-14(17-9-10-4-2-1-3-5-10)19-15(20-16(11)25-13)12-6-7-18-24-12/h1-8H,9H2,(H,17,19,20)