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

Systemtic Name: 2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Openeye Name: 2-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol CAS Name: 2-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-4-nitrophenol IUPAC Name: 2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitrophenol Traditional Name: 2-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-nitro-phenol Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3S/c1-11-3-5-13(6-4-11)17-12(2)28-20-18(17)19(21-10-22-20)23-15-9-14(24(26)27)7-8-16(15)25/h3-10,25H,1-2H3,(H,21,22,23)