N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-1-mesyl-isonipecotamide Formula: C18H31N5O5S MolecularWeight: 429.53424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H31N5O5S/c1-4-6-10-22(14-15(19)23(9-5-2)18(26)20-16(14)24)17(25)13-7-11-21(12-8-13)29(3,27)28/h13H,4-12,19H2,1-3H3,(H,20,24,26)