2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Openeye Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-nitrophenol IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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