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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-methyl-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H31N6O3S+ MolecularWeight: 399.53144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N6O3S/c1-3-4-8-23-14(18)13(15(24)20-16(23)25)21(2)17(27)19-6-5-7-22-9-11-26-12-10-22/h3-12,18H2,1-2H3,(H,19,27)(H,20,24,25)/p+1