4-azanyl-1-[2-[1,8-bis(azanyl)-3-oxidanylidene-octan-2-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[2-[1,8-bis(azanyl)-3-oxidanylidene-octan-2-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidin-2-one Openeye Name: 4-amino-1-[2-[7-amino-1-(aminomethyl)-2-oxo-heptyl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one CAS Name: 4-amino-1-[2-(1,8-diamino-3-oxooctan-2-yl)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2-pyrimidinone IUPAC Name: 4-amino-1-[2-(1,8-diamino-3-oxooctan-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one Traditional Name: 4-amino-1-[2-[7-amino-1-(aminomethyl)-2-keto-heptyl]-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one Formula: C18H31N5O5 MolecularWeight: 397.46924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N)C2(CC(C(O2)CO)O)C(CN)C(=O)CCCCCN

Isomeric SMILES

CC1=CN(C(=O)N=C1N)C2(CC(C(O2)CO)O)C(CN)C(=O)CCCCCN

InChI

InChI=1S/C18H31N5O5/c1-11-9-23(17(27)22-16(11)21)18(7-14(26)15(10-24)28-18)12(8-20)13(25)5-3-2-4-6-19/h9,12,14-15,24,26H,2-8,10,19-20H2,1H3,(H2,21,22,27)