N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-7-chloranyl-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-7-chloranyl-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-7-chloro-N-(2-furylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-7-chloro-N-(2-furanylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-7-chloro-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-7-chloro-N-(2-furfuryl)-piperonylamide Formula: C21H21ClN4O6 MolecularWeight: 460.86764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)N

InChI

InChI=1S/C21H21ClN4O6/c1-2-3-6-25-18(23)16(19(27)24-21(25)29)26(10-13-5-4-7-30-13)20(28)12-8-14(22)17-15(9-12)31-11-32-17/h4-5,7-9H,2-3,6,10-11,23H2,1H3,(H,24,27,29)