5-[6-[[3-(diethylamino)propylamino]carbamoylamino]pyrimidin-4-yl]oxyindole-1-carboxylic acid

Systemtic Name: 5-[6-[[3-(diethylamino)propylamino]carbamoylamino]pyrimidin-4-yl]oxyindole-1-carboxylic acid Openeye Name: 5-[6-[[3-(diethylamino)propylamino]carbamoylamino]pyrimidin-4-yl]oxyindole-1-carboxylic acid CAS Name: 5-[[6-[[[3-(diethylamino)propylhydrazo]-oxomethyl]amino]-4-pyrimidinyl]oxy]-1-indolecarboxylic acid IUPAC Name: 5-[6-[[3-(diethylamino)propylamino]carbamoylamino]pyrimidin-4-yl]oxyindole-1-carboxylic acid Traditional Name: 5-[6-[[3-(diethylamino)propylamino]carbamoylamino]pyrimidin-4-yl]oxyindole-1-carboxylic acid Formula: C21H27N7O4 MolecularWeight: 441.48358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNNC(=O)NC1=CC(=NC=N1)OC2=CC3=C(C=C2)N(C=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCCNNC(=O)NC1=CC(=NC=N1)OC2=CC3=C(C=C2)N(C=C3)C(=O)O

InChI

InChI=1S/C21H27N7O4/c1-3-27(4-2)10-5-9-24-26-20(29)25-18-13-19(23-14-22-18)32-16-6-7-17-15(12-16)8-11-28(17)21(30)31/h6-8,11-14,24H,3-5,9-10H2,1-2H3,(H,30,31)(H2,22,23,25,26,29)