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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(1-azepanylsulfonyl)-N-(2-methoxyethyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide Formula: C24H35N5O6S MolecularWeight: 521.6296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C24H35N5O6S/c1-3-4-14-29-21(25)20(22(30)26-24(29)32)28(15-16-35-2)23(31)18-10-9-11-19(17-18)36(33,34)27-12-7-5-6-8-13-27/h9-11,17H,3-8,12-16,25H2,1-2H3,(H,26,30,32)