N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(cyanomethyl)-N-(furan-2-ylmethyl)benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(cyanomethyl)-N-(furan-2-ylmethyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(cyanomethyl)-N-(2-furylmethyl)benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(cyanomethyl)-N-(2-furanylmethyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(cyanomethyl)-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(cyanomethyl)-N-(2-furfuryl)benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-2-3-11-26-19(24)18(20(28)25-22(26)30)27(14-17-8-5-12-31-17)21(29)16-7-4-6-15(13-16)9-10-23/h4-8,12-13H,2-3,9,11,14,24H2,1H3,(H,25,28,30)