pyridin-3-ylmethyl 2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate

Systemtic Name: pyridin-3-ylmethyl 2-[8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: 3-pyridylmethyl 2-[8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl]acetate CAS Name: 2-[8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl]acetic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]acetate Traditional Name: 2-[8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl]acetic acid 3-pyridylmethyl ester Formula: C23H27N7O4 MolecularWeight: 465.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)OCC4=CN=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)OCC4=CN=CC=C4)C

InChI

InChI=1S/C23H27N7O4/c1-3-4-11-29-19-20(26-22(29)28-10-6-8-17(24)13-28)27(2)23(33)30(21(19)32)14-18(31)34-15-16-7-5-9-25-12-16/h5,7,9,12,17H,6,8,10-11,13-15,24H2,1-2H3/t17-/m1/s1