[2-(aminomethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] octanoate

Systemtic Name: [2-(aminomethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] octanoate Openeye Name: [2-(aminomethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] octanoate CAS Name: octanoic acid [2-(aminomethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] octanoate Traditional Name: caprylic acid [2-(aminomethyl)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C18H29N3O5 MolecularWeight: 367.43996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CC(OC1CN)N2C=C(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCC(=O)OC1CC(OC1CN)N2C=C(C(=O)NC2=O)C

InChI

InChI=1S/C18H29N3O5/c1-3-4-5-6-7-8-16(22)26-13-9-15(25-14(13)10-19)21-11-12(2)17(23)20-18(21)24/h11,13-15H,3-10,19H2,1-2H3,(H,20,23,24)