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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-chloranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-chloro-3-morpholinosulfonyl-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-chloro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-chloro-3-morpholinosulfonyl-benzamide Formula: C22H30ClN5O6S MolecularWeight: 528.0215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H30ClN5O6S/c1-3-5-9-27(18-19(24)28(8-4-2)22(31)25-20(18)29)21(30)15-6-7-16(23)17(14-15)35(32,33)26-10-12-34-13-11-26/h6-7,14H,3-5,8-13,24H2,1-2H3,(H,25,29,31)