N-[bis(azanyl)methylidene]-2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide CAS Name: N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzamide IUPAC Name: N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-(diaminomethylene)-5-mesyl-2-methyl-4-[4-(2-pyrimidyl)piperazino]benzamide Formula: C18H23N7O3S MolecularWeight: 417.48532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N7O3S/c1-12-10-14(15(29(2,27)28)11-13(12)16(26)23-17(19)20)24-6-8-25(9-7-24)18-21-4-3-5-22-18/h3-5,10-11H,6-9H2,1-2H3,(H4,19,20,23,26)