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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-oxidanylidene-3-phenyl-N-propyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-oxo-3-phenyl-N-propyl-isochromane-6-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-oxo-3-phenyl-N-propyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-oxo-3-phenyl-N-propyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-keto-3-phenyl-N-propyl-isochroman-6-carboxamide Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)N

InChI

InChI=1S/C27H30N4O5/c1-3-5-14-31-23(28)22(24(32)29-27(31)35)30(13-4-2)25(33)18-11-12-20-19(15-18)16-21(36-26(20)34)17-9-7-6-8-10-17/h6-12,15,21H,3-5,13-14,16,28H2,1-2H3,(H,29,32,35)