N6-[[3-[[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-4-fluoranyl-phenyl]methyl]-N4-[(1S)-4-methyl-5-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N6-[[3-[[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-4-fluoranyl-phenyl]methyl]-N4-[(1S)-4-methyl-5-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide Openeye Name: N6-[[3-[[(2-amino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-4-fluoro-phenyl]methyl]-N4-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)indan-1-yl]pyrimidine-4,6-dicarboxamide CAS Name: N6-[[3-[[(2-amino-3,4-dioxo-1-cyclobutenyl)amino]methyl]-4-fluorophenyl]methyl]-N4-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]-4-fluorophenyl]methyl]-4-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide Traditional Name: N'-[3-[[(2-amino-3,4-diketo-cyclobuten-1-yl)amino]methyl]-4-fluoro-benzyl]-N-[(1S)-4-methyl-5-(2H-tetrazol-5-yl)indan-1-yl]pyrimidine-4,6-dicarboxamide Formula: C29H25FN10O4 MolecularWeight: 596.571803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCC2NC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC(=C(C=C4)F)CNC5=C(C(=O)C5=O)N)C6=NNN=N6

Isomeric SMILES

CC1=C(C=CC2=C1CC[C@@H]2NC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC(=C(C=C4)F)CNC5=C(C(=O)C5=O)N)C6=NNN=N6

InChI

InChI=1S/C29H25FN10O4/c1-13-16-5-7-20(18(16)4-3-17(13)27-37-39-40-38-27)36-29(44)22-9-21(34-12-35-22)28(43)33-10-14-2-6-19(30)15(8-14)11-32-24-23(31)25(41)26(24)42/h2-4,6,8-9,12,20,32H,5,7,10-11,31H2,1H3,(H,33,43)(H,36,44)(H,37,38,39,40)/t20-/m0/s1