4-[[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]-3-methyl-phenol

Systemtic Name: 4-[[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]-3-methyl-phenol Openeye Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]-3-methyl-phenol CAS Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]-3-methylphenol IUPAC Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]-3-methylphenol Traditional Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]-3-methyl-phenol Formula: C19H15ClN4O MolecularWeight: 350.8016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=C(C=CC(=C1)O)NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H15ClN4O/c1-12-10-16(25)8-9-17(12)23-18-14(11-22-19(21)24-18)5-2-13-3-6-15(20)7-4-13/h3-4,6-11,25H,1H3,(H3,21,22,23,24)