N-(2-chloranyl-4-nitro-phenyl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-chloro-4-nitro-phenyl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2-chloro-4-nitrophenyl)-5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2-chloro-4-nitrophenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-chloro-4-nitro-phenyl)-(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C21H17ClN4O3S MolecularWeight: 440.90268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C21H17ClN4O3S/c1-3-29-15-7-4-13(5-8-15)18-12(2)30-21-19(18)20(23-11-24-21)25-17-9-6-14(26(27)28)10-16(17)22/h4-11H,3H2,1-2H3,(H,23,24,25)