2-[4-(3-azanylpropyl)piperazin-1-yl]-8-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-5-methyl-7H-pteridin-6-one

Systemtic Name: 2-[4-(3-azanylpropyl)piperazin-1-yl]-8-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-5-methyl-7H-pteridin-6-one Openeye Name: 2-[4-(3-aminopropyl)piperazin-1-yl]-8-[(4-chloro-2-fluoro-phenyl)methyl]-5-methyl-7H-pteridin-6-one CAS Name: 2-[4-(3-aminopropyl)-1-piperazinyl]-8-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-7H-pteridin-6-one IUPAC Name: 2-[4-(3-aminopropyl)piperazin-1-yl]-8-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-7H-pteridin-6-one Traditional Name: 2-[4-(3-aminopropyl)piperazino]-8-(4-chloro-2-fluoro-benzyl)-5-methyl-7H-pteridin-6-one Formula: C21H27ClFN7O MolecularWeight: 447.936783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C2=NC(=NC=C21)N3CCN(CC3)CCCN)CC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

CN1C(=O)CN(C2=NC(=NC=C21)N3CCN(CC3)CCCN)CC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C21H27ClFN7O/c1-27-18-12-25-21(29-9-7-28(8-10-29)6-2-5-24)26-20(18)30(14-19(27)31)13-15-3-4-16(22)11-17(15)23/h3-4,11-12H,2,5-10,13-14,24H2,1H3