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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-methylsulfonyl-N-pentyl-piperidine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-methylsulfonyl-N-pentyl-piperidine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-methylsulfonyl-N-pentyl-3-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-methylsulfonyl-N-pentylpiperidine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-1-mesyl-nipecotamide Formula: C20H35N5O5S MolecularWeight: 457.5874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C20H35N5O5S/c1-4-6-8-13-24(19(27)15-10-9-11-23(14-15)31(3,29)30)16-17(21)25(12-7-5-2)20(28)22-18(16)26/h15H,4-14,21H2,1-3H3,(H,22,26,28)