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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3,4-dimethylphenyl)-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(3,4-dimethylphenyl)-N-(2-methyl-5-nitrophenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(3,4-dimethylphenyl)-N-(2-methyl-5-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-methyl-5-nitro-phenyl)amine Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=C(C=CC(=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H18N4O2S/c1-12-4-6-15(8-14(12)3)17-10-28-21-19(17)20(22-11-23-21)24-18-9-16(25(26)27)7-5-13(18)2/h4-11H,1-3H3,(H,22,23,24)