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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H14N6O3S MolecularWeight: 358.37506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O3S/c1-3-6-16-13-12(21(22)23)14(18-8-17-13)20-15-19-10-5-4-9(24-2)7-11(10)25-15/h3-5,7-8H,1,6H2,2H3,(H2,16,17,18,19,20)