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

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Openeye Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-nitrophenol IUPAC Name: 2-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-nitro-phenol Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=CC(=C4)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=CC(=C4)[N+](=O)[O-])O)C

InChI

InChI=1S/C21H18N4O4S/c1-3-29-15-7-4-13(5-8-15)18-12(2)30-21-19(18)20(22-11-23-21)24-16-10-14(25(27)28)6-9-17(16)26/h4-11,26H,3H2,1-2H3,(H,22,23,24)