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

Systemtic Name: [4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C26H30N4OS/c1-3-29(4-2)24-18-23(21-10-6-5-7-11-21)27-26(28-24)32-19-20-12-14-22(15-13-20)25(31)30-16-8-9-17-30/h5-7,10-15,18H,3-4,8-9,16-17,19H2,1-2H3