6-azanyl-2-(2-methoxyethoxy)-9-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-methoxyethoxy)-9-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(2-methoxyethoxy)-9-[3-[(4-methylpiperazino)methyl]benzyl]-7H-purin-8-one Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC(=C2)CN3C4=C(C(=NC(=N4)OCCOC)N)NC3=O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC(=C2)CN3C4=C(C(=NC(=N4)OCCOC)N)NC3=O

InChI

InChI=1S/C21H29N7O3/c1-26-6-8-27(9-7-26)13-15-4-3-5-16(12-15)14-28-19-17(23-21(28)29)18(22)24-20(25-19)31-11-10-30-2/h3-5,12H,6-11,13-14H2,1-2H3,(H,23,29)(H2,22,24,25)