2-methyl-1-(phenylmethyl)-4-pyrrolidin-1-yl-6-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 2-methyl-1-(phenylmethyl)-4-pyrrolidin-1-yl-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-methyl-4-pyrrolidin-1-yl-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 2-methyl-1-(phenylmethyl)-4-(1-pyrrolidinyl)-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-methyl-4-pyrrolidin-1-yl-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-methyl-4-pyrrolidino-6-thioxo-pyrimidine-5-carbonitrile Formula: C17H18N4S MolecularWeight: 310.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=S)N1CC2=CC=CC=C2)C#N)N3CCCC3

Isomeric SMILES

CC1=NC(=C(C(=S)N1CC2=CC=CC=C2)C#N)N3CCCC3

InChI

InChI=1S/C17H18N4S/c1-13-19-16(20-9-5-6-10-20)15(11-18)17(22)21(13)12-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-10,12H2,1H3