ethyl 4-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H36N8O2 MolecularWeight: 480.60574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2

InChI

InChI=1S/C25H36N8O2/c1-3-35-25(34)32-14-12-30(13-15-32)21-5-4-19-6-7-33(18-20(19)16-21)23-17-22(27-24(26)28-23)31-10-8-29(2)9-11-31/h4-5,16-17H,3,6-15,18H2,1-2H3,(H2,26,27,28)