4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-(4-anilino-6-methyl-pyrimidin-2-yl)sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[(4-anilino-6-methyl-2-pyrimidinyl)thio]-1-phenyl-1-butanone IUPAC Name: 4-(4-anilino-6-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[(4-anilino-6-methyl-pyrimidin-2-yl)thio]-1-phenyl-butan-1-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCC(=O)C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCC(=O)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-16-15-20(23-18-11-6-3-7-12-18)24-21(22-16)26-14-8-13-19(25)17-9-4-2-5-10-17/h2-7,9-12,15H,8,13-14H2,1H3,(H,22,23,24)