(3R)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-1-keto-isochroman-3-carboxamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CC3=CC=CC=C3C(=O)O2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)N

InChI

InChI=1S/C22H28N4O5/c1-3-5-11-25(17-18(23)26(12-6-4-2)22(30)24-19(17)27)20(28)16-13-14-9-7-8-10-15(14)21(29)31-16/h7-10,16H,3-6,11-13,23H2,1-2H3,(H,24,27,30)/t16-/m1/s1