7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(4-pyrrolidin-1-ylcarbonylphenoxy)purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(4-pyrrolidin-1-ylcarbonylphenoxy)purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-[4-[oxo(1-pyrrolidinyl)methyl]phenoxy]-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]purin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-[4-(pyrrolidine-1-carbonyl)phenoxy]purin-6-one Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C25H29N7O3/c1-3-4-15-32-20-21(27-24(32)31-16-11-26-12-17-31)28-25(29(2)23(20)34)35-19-9-7-18(8-10-19)22(33)30-13-5-6-14-30/h7-10,26H,5-6,11-17H2,1-2H3