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

Systemtic Name: N4-butyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C17H20N6O3S/c1-4-5-8-22(2)16-14(23(24)25)15(18-10-19-16)21-17-20-12-7-6-11(26-3)9-13(12)27-17/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20,21)