(2S)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-benzylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(4-benzylpiperazino)propan-1-one Formula: C19H25N5OS MolecularWeight: 371.4997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@@H](C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C19H25N5OS/c1-14-12-17(20)22-19(21-14)26-15(2)18(25)24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,20,21,22)/t15-/m0/s1