1-pentyl-3-[6-(pentylcarbamoylamino)acridin-3-yl]urea hydrochloride

Systemtic Name: 1-pentyl-3-[6-(pentylcarbamoylamino)acridin-3-yl]urea hydrochloride Openeye Name: 1-pentyl-3-[6-(pentylcarbamoylamino)acridin-3-yl]urea hydrochloride CAS Name: 1-[6-[[oxo-(pentylamino)methyl]amino]-3-acridinyl]-3-pentylurea hydrochloride IUPAC Name: 1-pentyl-3-[6-(pentylcarbamoylamino)acridin-3-yl]urea hydrochloride Traditional Name: 1-amyl-3-[6-(amylcarbamoylamino)acridin-3-yl]urea hydrochloride Formula: C25H34ClN5O2 MolecularWeight: 472.02276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)NCCCCC.Cl

Isomeric SMILES

CCCCCNC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)NCCCCC.Cl

InChI

InChI=1S/C25H33N5O2.ClH/c1-3-5-7-13-26-24(31)28-20-11-9-18-15-19-10-12-21(17-23(19)30-22(18)16-20)29-25(32)27-14-8-6-4-2;/h9-12,15-17H,3-8,13-14H2,1-2H3,(H2,26,28,31)(H2,27,29,32);1H