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

Systemtic Name: 2-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Openeye Name: 2-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[5-(4-chlorophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-nitrophenol IUPAC Name: 2-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[[5-(4-chlorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Formula: C19H13ClN4O3S MolecularWeight: 412.84952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H13ClN4O3S/c1-10-16(11-2-4-12(20)5-3-11)17-18(21-9-22-19(17)28-10)23-14-8-13(24(26)27)6-7-15(14)25/h2-9,25H,1H3,(H,21,22,23)