N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-tert-butyl-4-oxidanylidene-1H-pyrimidine-2-carboxamide

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-tert-butyl-4-oxidanylidene-1H-pyrimidine-2-carboxamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-tert-butyl-4-oxo-1H-pyrimidine-2-carboxamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-tert-butyl-4-oxo-1H-pyrimidine-2-carboxamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-tert-butyl-4-oxo-1H-pyrimidine-2-carboxamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-tert-butyl-4-keto-1H-pyrimidine-2-carboxamide Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C(=O)NCC2=CC3=C(CCN(C3)C4=C(C(=O)C4=O)N)C=C2

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C(=O)NCC2=CC3=C(CCN(C3)C4=C(C(=O)C4=O)N)C=C2

InChI

InChI=1S/C23H25N5O4/c1-23(2,3)15-9-16(29)27-21(26-15)22(32)25-10-12-4-5-13-6-7-28(11-14(13)8-12)18-17(24)19(30)20(18)31/h4-5,8-9H,6-7,10-11,24H2,1-3H3,(H,25,32)(H,26,27,29)