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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-3-pyrrolidinosulfonyl-benzamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N

InChI

InChI=1S/C21H29N5O5S/c1-3-5-13-26-18(22)17(19(27)23-21(26)29)25(4-2)20(28)15-9-8-10-16(14-15)32(30,31)24-11-6-7-12-24/h8-10,14H,3-7,11-13,22H2,1-2H3,(H,23,27,29)