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

Systemtic Name: [4-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C23H32N4OS/c1-5-26(6-2)21-15-20(17(3)4)24-23(25-21)29-16-18-9-11-19(12-10-18)22(28)27-13-7-8-14-27/h9-12,15,17H,5-8,13-14,16H2,1-4H3