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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-furylmethyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-furanylmethyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-furfuryl)-1-mesyl-nipecotamide Formula: C20H29N5O6S MolecularWeight: 467.53916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3CCCN(C3)S(=O)(=O)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3CCCN(C3)S(=O)(=O)C)N

InChI

InChI=1S/C20H29N5O6S/c1-3-4-10-24-17(21)16(18(26)22-20(24)28)25(13-15-8-6-11-31-15)19(27)14-7-5-9-23(12-14)32(2,29)30/h6,8,11,14H,3-5,7,9-10,12-13,21H2,1-2H3,(H,22,26,28)