1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-ethyl-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H33N6O3S+ MolecularWeight: 413.55802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NCCC[NH+]2CCOCC2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NCCC[NH+]2CCOCC2)N

InChI

InChI=1S/C18H32N6O3S/c1-3-5-9-24-15(19)14(16(25)21-17(24)26)23(4-2)18(28)20-7-6-8-22-10-12-27-13-11-22/h3-13,19H2,1-2H3,(H,20,28)(H,21,25,26)/p+1