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

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(4-besylpiperazino)propan-1-one Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3S2/c1-13-12-16(19)21-18(20-13)27-14(2)17(24)22-8-10-23(11-9-22)28(25,26)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3,(H2,19,20,21)