[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 6-[(phenylmethyl)amino]hexanoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 6-[(phenylmethyl)amino]hexanoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 6-(benzylamino)hexanoate CAS Name: 6-[(phenylmethyl)amino]hexanoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 6-(benzylamino)hexanoate Traditional Name: 6-(benzylamino)hexanoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)COC(=O)CCCCCNCC2=CC=CC=C2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1C(OC(S1)COC(=O)CCCCCNCC2=CC=CC=C2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C21H28N4O4S/c22-17-10-12-25(21(27)24-17)18-15-30-20(29-18)14-28-19(26)9-5-2-6-11-23-13-16-7-3-1-4-8-16/h1,3-4,7-8,10,12,18,20,23H,2,5-6,9,11,13-15H2,(H2,22,24,27)