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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-3-pyrrolidinosulfonyl-benzamide Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H31N5O5S/c1-3-5-14-26(18-19(23)27(11-4-2)22(30)24-20(18)28)21(29)16-9-8-10-17(15-16)33(31,32)25-12-6-7-13-25/h8-10,15H,3-7,11-14,23H2,1-2H3,(H,24,28,30)