[3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[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=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

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

InChI

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