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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitro-phenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitrophenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-methyl-5-nitro-phenyl)amine Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H18N4O4S/c1-12-4-6-14(25(26)27)9-16(12)24-20-19-15(10-30-21(19)23-11-22-20)13-5-7-17(28-2)18(8-13)29-3/h4-11H,1-3H3,(H,22,23,24)