N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-cyano-N-(furan-2-ylmethyl)benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-cyano-N-(furan-2-ylmethyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-cyano-N-(2-furylmethyl)benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-cyano-N-(2-furanylmethyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-cyano-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-cyano-N-(2-furfuryl)benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C21H21N5O4/c1-2-3-10-25-18(23)17(19(27)24-21(25)29)26(13-16-5-4-11-30-16)20(28)15-8-6-14(12-22)7-9-15/h4-9,11H,2-3,10,13,23H2,1H3,(H,24,27,29)