7-but-2-ynyl-1-methyl-2-phenylazanyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-phenylazanyl-8-piperazin-1-yl-purin-6-one Openeye Name: 2-anilino-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 2-anilino-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 2-anilino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 2-anilino-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)NC3=CC=CC=C3)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)NC3=CC=CC=C3)N=C1N4CCNCC4

InChI

InChI=1S/C20H23N7O/c1-3-4-12-27-16-17(24-20(27)26-13-10-21-11-14-26)23-19(25(2)18(16)28)22-15-8-6-5-7-9-15/h5-9,21H,10-14H2,1-2H3,(H,22,23)