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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N7O4S MolecularWeight: 431.46884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O4S/c1-28-12-2-3-13-14(10-12)30-18(22-13)23-17-15(25(26)27)16(20-11-21-17)19-4-5-24-6-8-29-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,19,20,21,22,23)