N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azocan-1-yl)-N-butyl-ethanamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azocan-1-yl)-N-butyl-ethanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-2-(azocan-1-yl)-N-butyl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(1-azocanyl)-N-butylacetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-butylacetamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-2-(azocan-1-yl)-N-butyl-acetamide Formula: C21H37N5O3 MolecularWeight: 407.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CN2CCCCCCC2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CN2CCCCCCC2

InChI

InChI=1S/C21H37N5O3/c1-4-5-13-25(17(27)15-24-11-9-7-6-8-10-12-24)18-19(22)26(14-16(2)3)21(29)23-20(18)28/h16H,4-15,22H2,1-3H3,(H,23,28,29)