3-(2-butylphenoxazin-10-yl)-1-pyrimidin-2-yl-heptane-1-sulfonic acid

Systemtic Name: 3-(2-butylphenoxazin-10-yl)-1-pyrimidin-2-yl-heptane-1-sulfonic acid Openeye Name: 3-(2-butylphenoxazin-10-yl)-1-pyrimidin-2-yl-heptane-1-sulfonic acid CAS Name: 3-(2-butyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-heptanesulfonic acid IUPAC Name: 3-(2-butylphenoxazin-10-yl)-1-pyrimidin-2-ylheptane-1-sulfonic acid Traditional Name: 3-(2-butylphenoxazin-10-yl)-1-(2-pyrimidyl)heptane-1-sulfonic acid Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OC3=CC=CC=C3N2C(CCCC)CC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OC3=CC=CC=C3N2C(CCCC)CC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C27H33N3O4S/c1-3-5-10-20-14-15-25-23(18-20)30(22-12-7-8-13-24(22)34-25)21(11-6-4-2)19-26(35(31,32)33)27-28-16-9-17-29-27/h7-9,12-18,21,26H,3-6,10-11,19H2,1-2H3,(H,31,32,33)