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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-methylsulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-methylsulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-methylsulfonylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-methylsulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-mesyl-benzamide Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-4-6-11-23(19(26)14-9-8-10-15(13-14)30(3,28)29)16-17(21)24(12-7-5-2)20(27)22-18(16)25/h8-10,13H,4-7,11-12,21H2,1-3H3,(H,22,25,27)