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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-chloro-4-nitro-phenyl)-5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2-chloro-4-nitrophenyl)-5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2-chloro-4-nitrophenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-chloro-4-nitro-phenyl)-[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)C)C

InChI

InChI=1S/C21H17ClN4O2S/c1-11-4-5-14(8-12(11)2)18-13(3)29-21-19(18)20(23-10-24-21)25-17-7-6-15(26(27)28)9-16(17)22/h4-10H,1-3H3,(H,23,24,25)