N'-[5-methyl-2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

Systemtic Name: N'-[5-methyl-2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine Openeye Name: N'-[5-methyl-2-(5-nitro-2-furyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine CAS Name: N'-[5-methyl-2-(5-nitro-2-furanyl)-4-thieno[2,3-d]pyrimidinyl]ethane-1,2-diamine IUPAC Name: N'-[5-methyl-2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[5-methyl-2-(5-nitro-2-furyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=NC(=C12)NCCN)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC2=NC(=NC(=C12)NCCN)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S/c1-7-6-22-13-10(7)12(15-5-4-14)16-11(17-13)8-2-3-9(21-8)18(19)20/h2-3,6H,4-5,14H2,1H3,(H,15,16,17)