7-but-2-ynyl-9-(2-methoxypyrimidin-5-yl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: 7-but-2-ynyl-9-(2-methoxypyrimidin-5-yl)-6-piperazin-1-yl-purin-8-one Openeye Name: 7-but-2-ynyl-9-(2-methoxypyrimidin-5-yl)-6-piperazin-1-yl-purin-8-one CAS Name: 7-but-2-ynyl-9-(2-methoxy-5-pyrimidinyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: 7-but-2-ynyl-9-(2-methoxypyrimidin-5-yl)-6-piperazin-1-ylpurin-8-one Traditional Name: 7-but-2-ynyl-9-(2-methoxypyrimidin-5-yl)-6-piperazino-purin-8-one Formula: C18H20N8O2 MolecularWeight: 380.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C4=CN=C(N=C4)OC

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C4=CN=C(N=C4)OC

InChI

InChI=1S/C18H20N8O2/c1-3-4-7-25-14-15(24-8-5-19-6-9-24)22-12-23-16(14)26(18(25)27)13-10-20-17(28-2)21-11-13/h10-12,19H,5-9H2,1-2H3