N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4)N

InChI

InChI=1S/C25H28N4O5/c1-2-3-12-28-22(26)21(23(30)27-25(28)32)29(16-17-8-5-4-6-9-17)24(31)18-10-11-19-20(15-18)34-14-7-13-33-19/h4-6,8-11,15H,2-3,7,12-14,16,26H2,1H3,(H,27,30,32)