N'-[6-methyl-2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

Systemtic Name: N'-[6-methyl-2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine Openeye Name: N'-[6-methyl-2-(5-nitro-2-furyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine CAS Name: N'-[6-methyl-2-(5-nitro-2-furanyl)-4-thieno[2,3-d]pyrimidinyl]ethane-1,2-diamine IUPAC Name: N'-[6-methyl-2-(5-nitrofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[6-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=CC2=C(N=C(N=C2S1)C3=CC=C(O3)[N+](=O)[O-])NCCN

Isomeric SMILES

CC1=CC2=C(N=C(N=C2S1)C3=CC=C(O3)[N+](=O)[O-])NCCN

InChI

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