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

Systemtic Name: N4-(1-methoxypropan-2-yl)-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-6-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O3S/c1-9-4-5-11-12(6-9)26-16(20-11)21-15-13(22(23)24)14(17-8-18-15)19-10(2)7-25-3/h4-6,8,10H,7H2,1-3H3,(H2,17,18,19,20,21)