3-[[4,6-bis(oxidanylidene)-1,3-diazinan-2-yl]amino]propyl phenylmethanesulfonate

Systemtic Name: 3-[[4,6-bis(oxidanylidene)-1,3-diazinan-2-yl]amino]propyl phenylmethanesulfonate Openeye Name: 3-[(4,6-dioxohexahydropyrimidin-2-yl)amino]propyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid 3-[(4,6-dioxo-1,3-diazinan-2-yl)amino]propyl ester IUPAC Name: 3-[(4,6-dioxo-1,3-diazinan-2-yl)amino]propyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid 3-[(4,6-diketohexahydropyrimidin-2-yl)amino]propyl ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(NC1=O)NCCCOS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1C(=O)NC(NC1=O)NCCCOS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O5S/c18-12-9-13(19)17-14(16-12)15-7-4-8-22-23(20,21)10-11-5-2-1-3-6-11/h1-3,5-6,14-15H,4,7-10H2,(H,16,18)(H,17,19)