1-butyl-3-[6-(butylcarbamoylamino)acridin-3-yl]urea hydrochloride

Systemtic Name: 1-butyl-3-[6-(butylcarbamoylamino)acridin-3-yl]urea hydrochloride Openeye Name: 1-butyl-3-[6-(butylcarbamoylamino)acridin-3-yl]urea hydrochloride CAS Name: 1-butyl-3-[6-[[butylamino(oxo)methyl]amino]-3-acridinyl]urea hydrochloride IUPAC Name: 1-butyl-3-[6-(butylcarbamoylamino)acridin-3-yl]urea hydrochloride Traditional Name: 1-butyl-3-[6-(butylcarbamoylamino)acridin-3-yl]urea hydrochloride Formula: C23H30ClN5O2 MolecularWeight: 443.9696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)NCCCC.Cl

Isomeric SMILES

CCCCNC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)NCCCC.Cl

InChI

InChI=1S/C23H29N5O2.ClH/c1-3-5-11-24-22(29)26-18-9-7-16-13-17-8-10-19(15-21(17)28-20(16)14-18)27-23(30)25-12-6-4-2;/h7-10,13-15H,3-6,11-12H2,1-2H3,(H2,24,26,29)(H2,25,27,30);1H