N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C19H23N7O2S MolecularWeight: 413.49662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O2S/c1-13-6-5-7-14-15(13)23-19(29-14)24-18-16(26(27)28)17(21-12-22-18)20-8-11-25-9-3-2-4-10-25/h5-7,12H,2-4,8-11H2,1H3,(H2,20,21,22,23,24)