1-[6-methyl-1-(phenylmethyl)-4-pyrrolidin-1-yl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-1-(phenylmethyl)-4-pyrrolidin-1-yl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-(1-benzyl-6-methyl-4-pyrrolidin-1-yl-2-thioxo-pyrimidin-5-yl)ethanone CAS Name: 1-[6-methyl-1-(phenylmethyl)-4-(1-pyrrolidinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-(1-benzyl-6-methyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone Traditional Name: 1-(1-benzyl-6-methyl-4-pyrrolidino-2-thioxo-pyrimidin-5-yl)ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CCCC3)C(=O)C

InChI

InChI=1S/C18H21N3OS/c1-13-16(14(2)22)17(20-10-6-7-11-20)19-18(23)21(13)12-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3