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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-ethyl-N-(furan-2-ylmethyl)benzotriazole-5-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-ethyl-N-(2-furylmethyl)benzotriazole-5-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-ethyl-N-(2-furanylmethyl)-5-benzotriazolecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-N-(furan-2-ylmethyl)benzotriazole-5-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-ethyl-N-(2-furfuryl)benzotriazole-5-carboxamide Formula: C22H25N7O4 MolecularWeight: 451.4784

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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)N(N=N4)CC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C3=CC4=C(C=C3)N(N=N4)CC)N

InChI

InChI=1S/C22H25N7O4/c1-3-5-10-27-19(23)18(20(30)24-22(27)32)28(13-15-7-6-11-33-15)21(31)14-8-9-17-16(12-14)25-26-29(17)4-2/h6-9,11-12H,3-5,10,13,23H2,1-2H3,(H,24,30,32)