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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O2S2/c1-11-4-2-6-13-14(11)22-18(28-13)23-17-15(24(25)26)16(20-10-21-17)19-8-7-12-5-3-9-27-12/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21,22,23)