ethyl 4-[[4-azanyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-azanyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-s-triazin-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)N)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC(=NC(=N2)N)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H27N7O2/c1-2-29-20(28)26-11-9-25(10-12-26)14-17-22-18(21)24-19(23-17)27-8-7-15-5-3-4-6-16(15)13-27/h3-6H,2,7-14H2,1H3,(H2,21,22,23,24)