1-[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperazino]-2-methyl-propan-1-one Formula: C19H23N7O MolecularWeight: 365.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C19H23N7O/c1-4-7-26-13-21-16-17(20)22-15(23-18(16)26)6-5-8-24-9-11-25(12-10-24)19(27)14(2)3/h1,13-14H,7-12H2,2-3H3,(H2,20,22,23)