[3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]phenyl]-piperidino-methanone Formula: C23H31ClN4OS MolecularWeight: 447.03644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCCC3)Cl

InChI

InChI=1S/C23H31ClN4OS/c1-3-11-27(12-4-2)21-16-20(24)25-23(26-21)30-17-18-9-8-10-19(15-18)22(29)28-13-6-5-7-14-28/h8-10,15-16H,3-7,11-14,17H2,1-2H3