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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-3-13-4-6-14(7-5-13)16-11-29-21-19(16)20(22-12-23-21)24-15-8-9-18(28-2)17(10-15)25(26)27/h4-12H,3H2,1-2H3,(H,22,23,24)