N6-[[3-[[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]phenyl]methyl]-N4-[(1S)-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]phenyl]methyl]-N4-[(1S)-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]phenyl]methyl]-N4-[(1S)-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]phenyl]methyl]-N4-[(1S)-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]phenyl]methyl]-4-N-[(1S)-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]benzyl]-N-[(1S)-5-(2H-tetrazol-5-yl)indan-1-yl]pyrimidine-4,6-dicarboxamide Formula: C28H24N10O4 MolecularWeight: 564.55476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC=CC(=C4)CNC5=C(C(=O)C5=O)N)C=CC(=C2)C6=NNN=N6

Isomeric SMILES

C1CC2=C([C@H]1NC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC=CC(=C4)CNC5=C(C(=O)C5=O)N)C=CC(=C2)C6=NNN=N6

InChI

InChI=1S/C28H24N10O4/c29-22-23(25(40)24(22)39)30-11-14-2-1-3-15(8-14)12-31-27(41)20-10-21(33-13-32-20)28(42)34-19-7-5-16-9-17(4-6-18(16)19)26-35-37-38-36-26/h1-4,6,8-10,13,19,30H,5,7,11-12,29H2,(H,31,41)(H,34,42)(H,35,36,37,38)/t19-/m0/s1