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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-]

InChI

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