N6-[2-(cyclohexen-1-yl)ethyl]-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCC4=CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCC4=CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c1-29-14-7-8-15-16(11-14)30-20(24-15)25-19-17(26(27)28)18(22-12-23-19)21-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H2,21,22,23,24,25)