4-[(4-methylphenyl)amino]-3-[(pyrimidin-2-ylamino)methyl]chromen-2-one

Systemtic Name: 4-[(4-methylphenyl)amino]-3-[(pyrimidin-2-ylamino)methyl]chromen-2-one Openeye Name: 4-(4-methylanilino)-3-[(pyrimidin-2-ylamino)methyl]chromen-2-one CAS Name: 4-(4-methylanilino)-3-[(2-pyrimidinylamino)methyl]-1-benzopyran-2-one IUPAC Name: 4-(4-methylanilino)-3-[(pyrimidin-2-ylamino)methyl]chromen-2-one Traditional Name: 4-(p-toluidino)-3-[(2-pyrimidylamino)methyl]coumarin Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)CNC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)CNC4=NC=CC=N4

InChI

InChI=1S/C21H18N4O2/c1-14-7-9-15(10-8-14)25-19-16-5-2-3-6-18(16)27-20(26)17(19)13-24-21-22-11-4-12-23-21/h2-12,25H,13H2,1H3,(H,22,23,24)