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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2-methoxy-5-nitrophenyl)-6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2-methoxy-5-nitrophenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (2-methoxy-5-nitro-phenyl)-[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-12-4-6-14(7-5-12)18-13(2)29-21-19(18)20(22-11-23-21)24-16-10-15(25(26)27)8-9-17(16)28-3/h4-11H,1-3H3,(H,22,23,24)