N-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: (6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C54

InChI

InChI=1S/C20H16N6O3S/c1-29-13-6-7-14-16(10-13)30-20(23-14)24-18-17(26(27)28)19(22-11-21-18)25-9-8-12-4-2-3-5-15(12)25/h2-7,10-11H,8-9H2,1H3,(H,21,22,23,24)