[3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C25H25ClN4OS MolecularWeight: 465.0102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)Cl

InChI

InChI=1S/C25H25ClN4OS/c26-22-15-23(29-11-3-4-12-29)28-25(27-22)32-17-18-6-5-9-20(14-18)24(31)30-13-10-19-7-1-2-8-21(19)16-30/h1-2,5-9,14-15H,3-4,10-13,16-17H2