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

Systemtic Name: [4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H29ClN4OS/c1-3-11-26(12-4-2)20-15-19(23)24-22(25-20)29-16-17-7-9-18(10-8-17)21(28)27-13-5-6-14-27/h7-10,15H,3-6,11-14,16H2,1-2H3