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

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobutyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-methyl-pyrimidine-4-carboxamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-methyl-pyrimidine-4-carboxamide CAS Name: N-[[2-(2-amino-3,4-dioxocyclobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-methyl-4-pyrimidinecarboxamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-methylpyrimidine-4-carboxamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-methyl-pyrimidine-4-carboxamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=NC(=C1)C(=O)NCC2=CC3=C(CCN(C3)C4C(C(=O)C4=O)N)C=C2

Isomeric SMILES

CC1=NC=NC(=C1)C(=O)NCC2=CC3=C(CCN(C3)C4C(C(=O)C4=O)N)C=C2

InChI

InChI=1S/C20H21N5O3/c1-11-6-15(24-10-23-11)20(28)22-8-12-2-3-13-4-5-25(9-14(13)7-12)17-16(21)18(26)19(17)27/h2-3,6-7,10,16-17H,4-5,8-9,21H2,1H3,(H,22,28)