N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-1-mesyl-nipecotamide Formula: C19H33N5O5S MolecularWeight: 443.56082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CCCN(C2)S(=O)(=O)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CCCN(C2)S(=O)(=O)C)N

InChI

InChI=1S/C19H33N5O5S/c1-4-6-11-23(18(26)14-9-8-10-22(13-14)30(3,28)29)15-16(20)24(12-7-5-2)19(27)21-17(15)25/h14H,4-13,20H2,1-3H3,(H,21,25,27)