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

Systemtic Name: ethyl N-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Openeye Name: ethyl N-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamate CAS Name: N-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Traditional Name: N-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid ethyl ester Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(CCN(C2)C3=CC(=NC(=N3)N)N4CCN(CC4)C)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(CCN(C2)C3=CC(=NC(=N3)N)N4CCN(CC4)C)C=C1

InChI

InChI=1S/C21H29N7O2/c1-3-30-21(29)23-17-5-4-15-6-7-28(14-16(15)12-17)19-13-18(24-20(22)25-19)27-10-8-26(2)9-11-27/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,23,29)(H2,22,24,25)