4-nitro-2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-nitro-2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol Openeye Name: 2-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 4-nitro-2-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]phenol IUPAC Name: 4-nitro-2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol Traditional Name: 4-nitro-2-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol Formula: C21H18N4O3S MolecularWeight: 406.45762

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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=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-12(2)13-3-5-14(6-4-13)16-10-29-21-19(16)20(22-11-23-21)24-17-9-15(25(27)28)7-8-18(17)26/h3-12,26H,1-2H3,(H,22,23,24)