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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O3S/c1-12-3-2-4-13-14(12)22-18(29-13)23-17-15(25(26)27)16(20-11-21-17)19-5-6-24-7-9-28-10-8-24/h2-4,11H,5-10H2,1H3,(H2,19,20,21,22,23)