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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCCN(C2)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCCN(C2)S(=O)(=O)C

InChI

InChI=1S/C19H33N5O5S/c1-5-6-10-23(18(26)14-8-7-9-22(12-14)30(4,28)29)15-16(20)24(11-13(2)3)19(27)21-17(15)25/h13-14H,5-12,20H2,1-4H3,(H,21,25,27)