S-(4-methyl-6-phenylazanyl-pyrimidin-2-yl) 4-phenylbutanethioate

Systemtic Name: S-(4-methyl-6-phenylazanyl-pyrimidin-2-yl) 4-phenylbutanethioate Openeye Name: S-(4-anilino-6-methyl-pyrimidin-2-yl) 4-phenylbutanethioate CAS Name: 4-phenylbutanethioic acid S-(4-anilino-6-methyl-2-pyrimidinyl) ester IUPAC Name: S-(4-anilino-6-methylpyrimidin-2-yl) 4-phenylbutanethioate Traditional Name: 4-phenylbutanethioic acid S-(4-anilino-6-methyl-pyrimidin-2-yl) ester Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)CCCC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)CCCC2=CC=CC=C2)NC3=CC=CC=C3

InChI

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