3-[4-[2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[2-methyl-6-(4-methylanilino)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[2-methyl-6-(p-toluidino)pyrimidin-4-yl]piperazine-1-carbonyl]coumarin Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O)C

InChI

InChI=1S/C26H25N5O3/c1-17-7-9-20(10-8-17)29-23-16-24(28-18(2)27-23)30-11-13-31(14-12-30)25(32)21-15-19-5-3-4-6-22(19)34-26(21)33/h3-10,15-16H,11-14H2,1-2H3,(H,27,28,29)