N-(2-chloranyl-4-nitro-phenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-chloro-4-nitro-phenyl)-5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2-chloro-4-nitrophenyl)-5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2-chloro-4-nitrophenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-chloro-4-nitro-phenyl)-(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amine Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-12(2)13-3-5-14(6-4-13)16-10-29-21-19(16)20(23-11-24-21)25-18-8-7-15(26(27)28)9-17(18)22/h3-12H,1-2H3,(H,23,24,25)