1-adamantyl-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl]ammonium Formula: C22H36N5O3+ MolecularWeight: 418.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C22H35N5O3/c1-3-5-6-27-19(23)18(20(29)25-21(27)30)26(4-2)17(28)13-24-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16,24H,3-13,23H2,1-2H3,(H,25,29,30)/p+1