N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-cyclopentyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-cyclopentyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-cyclopentyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C24H32N4O5S MolecularWeight: 488.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=CC4=C(C=C3)OCCCO4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=CC4=C(C=C3)OCCCO4)N

InChI

InChI=1S/C24H32N4O5S/c1-2-3-11-27-22(25)21(23(30)26-24(27)31)28(16-7-4-5-8-16)20(29)15-34-17-9-10-18-19(14-17)33-13-6-12-32-18/h9-10,14,16H,2-8,11-13,15,25H2,1H3,(H,26,30,31)