7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-[(4-methoxyphenyl)methylamino]-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-2-(p-anisylamino)-8-piperazino-purin-6-one Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)NCC3=CC=C(C=C3)OC)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)NCC3=CC=C(C=C3)OC)N=C1N4CCNCC4

InChI

InChI=1S/C22H27N7O2/c1-4-5-12-29-18-19(26-22(29)28-13-10-23-11-14-28)25-21(27(2)20(18)30)24-15-16-6-8-17(31-3)9-7-16/h6-9,23H,10-15H2,1-3H3,(H,24,25)