[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-3-prop-2-ynyl-purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-3-prop-2-ynyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (8-cyclopentyl-2,6-dioxo-1-propyl-3-prop-2-ynyl-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (8-cyclopentyl-2,6-dioxo-1-propyl-3-prop-2-ynyl-7-purinyl)methyl ester IUPAC Name: (8-cyclopentyl-2,6-dioxo-1-propyl-3-prop-2-ynylpurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (8-cyclopentyl-2,6-diketo-3-propargyl-1-propyl-purin-7-yl)methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)CC#C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)CC#C

InChI

InChI=1S/C22H30N4O4/c1-6-12-24-18-16(19(27)25(13-7-2)21(24)29)26(14-30-20(28)22(3,4)5)17(23-18)15-10-8-9-11-15/h1,15H,7-14H2,2-5H3