4-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-methoxyphenyl)piperazino]butan-1-one Formula: C20H24ClN7O2 MolecularWeight: 429.90326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C20H24ClN7O2/c1-30-15-6-3-2-5-14(15)27-9-11-28(12-10-27)16(29)7-4-8-22-18-17-19(24-13-23-17)26-20(21)25-18/h2-3,5-6,13H,4,7-12H2,1H3,(H2,22,23,24,25,26)